4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide

C12H12ClN3O — CID 61053675

IUPAC4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
SMILESN#CCCN(C(=O)c1cc(Cl)ccn1)C1CC1
InChIInChI=1S/C12H12ClN3O/c13-9-4-6-15-11(8-9)12(17)16(7-1-5-14)10-2-3-10/h4,6,8,10H,1-3,7H2
InChIKeyPTGNDYPPGBTVPP-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.25
Rot. Bonds4

About 4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide

4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide (PubChem CID 61053675) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
PubChem CID61053675
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
SMILESN#CCCN(C(=O)c1cc(Cl)ccn1)C1CC1
InChIInChI=1S/C12H12ClN3O/c13-9-4-6-15-11(8-9)12(17)16(7-1-5-14)10-2-3-10/h4,6,8,10H,1-3,7H2
InChIKeyPTGNDYPPGBTVPP-UHFFFAOYSA-N
XLogP2.25
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide
CID 43270432
4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 102861506
5-chloro-N-(2-cyanoethyl)-N-cyclopropyl-2-iodobenzamide
CID 113239852
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167
2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 114219509
6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid
CID 54997229
N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide
CID 60737654
6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide
CID 62159894
3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 107517439
4-chloro-N-(cyanomethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 103758603
6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 55041760
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62186526

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide (CID 61053675) is 4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide is N#CCCN(C(=O)c1cc(Cl)ccn1)C1CC1.
What is the InChIKey of 4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is PTGNDYPPGBTVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-9-4-6-15-11(8-9)12(17)16(7-1-5-14)10-2-3-10/h4,6,8,10H,1-3,7H2.
What are the key properties of 4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide?
4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 61053675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).