2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide

C9H7ClN4O2 — CID 175502702

IUPAC2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide
SMILESN#Cc1cccnc1NC(=O)NC(=O)CCl
InChIInChI=1S/C9H7ClN4O2/c10-4-7(15)13-9(16)14-8-6(5-11)2-1-3-12-8/h1-3H,4H2,(H2,12,13,14,15,16)
InChIKeyZYEJIHUYQJMHGD-UHFFFAOYSA-N
MW238.63 g/mol
LogP0.84
Rot. Bonds2

About 2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide

2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide (PubChem CID 175502702) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide
PubChem CID175502702
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide
SMILESN#Cc1cccnc1NC(=O)NC(=O)CCl
InChIInChI=1S/C9H7ClN4O2/c10-4-7(15)13-9(16)14-8-6(5-11)2-1-3-12-8/h1-3H,4H2,(H2,12,13,14,15,16)
InChIKeyZYEJIHUYQJMHGD-UHFFFAOYSA-N
XLogP0.84
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-cyano-2-pyridinyl)-3-phenylurea
CID 110472230
1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea
CID 110473501
N-(3-cyano-2-pyridinyl)-2-(methylamino)acetamide
CID 110470457
1-(3-cyano-2-pyridinyl)-3-cyclohexylurea
CID 110472699
N-(3-cyano-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 110471770
phenyl N-(3-cyano-2-pyridinyl)carbamate
CID 110472420
N-(3-cyano-2-pyridinyl)-6-phenylhexanamide
CID 86616590
methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate
CID 55028439
2-amino-N-(3-cyano-2-pyridinyl)benzamide
CID 110474340
N-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide
CID 110470804
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 46443949
N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide
CID 133279511

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide (CID 175502702) is 2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide is N#Cc1cccnc1NC(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide?
The InChIKey is ZYEJIHUYQJMHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-4-7(15)13-9(16)14-8-6(5-11)2-1-3-12-8/h1-3H,4H2,(H2,12,13,14,15,16).
What are the key properties of 2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide?
2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide has a molecular weight of 238.63 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide is sourced from PubChem (CID 175502702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).