4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide

C11H12ClN3O — CID 103859693

IUPAC4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide
SMILESCCC(C#N)NC(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C11H12ClN3O/c1-3-8(5-13)15-11(16)9-6-14-7(2)4-10(9)12/h4,6,8H,3H2,1-2H3,(H,15,16)
InChIKeyHDYJESXTJKZZQP-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.08
Rot. Bonds3

About 4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide

4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide (PubChem CID 103859693) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide
PubChem CID103859693
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide
SMILESCCC(C#N)NC(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C11H12ClN3O/c1-3-8(5-13)15-11(16)9-6-14-7(2)4-10(9)12/h4,6,8H,3H2,1-2H3,(H,15,16)
InChIKeyHDYJESXTJKZZQP-UHFFFAOYSA-N
XLogP2.08
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide
CID 81226447
4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 115283582
2,5-dichloro-N-(1-cyanopropyl)benzamide
CID 61119464
4-bromo-2-chloro-N-(1-cyanopropyl)benzamide
CID 61119482
4-chloro-N-(2-cyanobutan-2-yl)-6-methylpyridine-3-carboxamide
CID 113347503
N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 81229401
4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide
CID 82944808
4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81226364
4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
CID 113461638
N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide
CID 103337419
4-chloro-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-3-carboxamide
CID 81226919
4-chloro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 103949111

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide (CID 103859693) is 4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide is CCC(C#N)NC(=O)c1cnc(C)cc1Cl.
What is the InChIKey of 4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide?
The InChIKey is HDYJESXTJKZZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-3-8(5-13)15-11(16)9-6-14-7(2)4-10(9)12/h4,6,8H,3H2,1-2H3,(H,15,16).
What are the key properties of 4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide?
4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide has a molecular weight of 237.69 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 103859693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).