N-{3-[(4r,5r)-2-Amino-5-Fluoro-4-Methyl-5,6-Dihydro-4h-1,3-Oxazin-4-Yl]-4-Fluorophenyl}-5-Cyanopyridine-2-Carboxamide (HCID 66558601)

기본 정보

표준 SMILES: C[C@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)OC[C@@H]1F
InChIKey: ALKHFUPBQSAGMS-MAUKXSAKSA-N
분자식: C18H15F2N5O2
평균 분자량: 371.3 g/mol
단동위원소 질량: 371.11938106

이름 및 식별자

우선 이름: N-{3-[(4r,5r)-2-Amino-5-Fluoro-4-Methyl-5,6-Dihydro-4h-1,3-Oxazin-4-Yl]-4-Fluorophenyl}-5-Cyanopyridine-2-Carboxamide
IUPAC: N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide

이름 및 동의어

CHEMBL2347204N-{3-[(4r,5r)-2-Amino-5-Fluoro-4-Methyl-5,6-Dihydro-4h-1,3-Oxazin-4-Yl]-4-Fluorophenyl}-5-Cyanopyridine-2-CarboxamideSCHEMBL13194233ALKHFUPBQSAGMS-MAUKXSAKSA-NBDBM50432608US8754075, 4Q274520681H75-Cyano-pyridine-2-carboxylic acid [3-((4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide

데이터베이스 식별자

PubChem CID: 66558601
ChEMBL: CHEMBL2347204

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 113 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 3
무거운 원자 수: 27
형식 전하: 0
복잡도: 651

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