N-(2-{4-[Bis(2-chloroethyl)amino]butanoyloxy}ethyl)-3-pyridinecarboxamide

HCID 19829115
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Basic information

Standard SMILES
O=C(CCCN(CCCl)CCCl)OCCNC(=O)c1cccnc1
InChIKey
XHBLZFSHXGCZIA-UHFFFAOYSA-N
Molecular formula
C16H23Cl2N3O3
Average molar mass
376.3 g/mol
Monoisotopic mass
375.111647

Names & identifiers

Preferred name
N-(2-{4-[Bis(2-chloroethyl)amino]butanoyloxy}ethyl)-3-pyridinecarboxamide
IUPAC
2-(pyridine-3-carbonylamino)ethyl 4-[bis(2-chloroethyl)amino]butanoate

Names & synonyms

SCHEMBL8724820XHBLZFSHXGCZIA-UHFFFAOYSA-NN-(2-{4-[Bis(2-chloroethyl)amino]butanoyloxy}ethyl)-3-pyridinecarboxamide

Database identifiers

PubChem CID
19829115

Properties

Computed structural properties

XLogP
2
Topological polar surface area
71.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
13
Heavy atoms
24

Related reactions

3 records
New reaction record

Linked notes

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