3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide

C11H12ClN3O — CID 66462809

IUPAC3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide
SMILESCCCC(C#N)NC(=O)c1ccncc1Cl
InChIInChI=1S/C11H12ClN3O/c1-2-3-8(6-13)15-11(16)9-4-5-14-7-10(9)12/h4-5,7-8H,2-3H2,1H3,(H,15,16)
InChIKeyHYEBELREWLAOQM-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.16
Rot. Bonds4

About 3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide

3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide (PubChem CID 66462809) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide
PubChem CID66462809
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide
SMILESCCCC(C#N)NC(=O)c1ccncc1Cl
InChIInChI=1S/C11H12ClN3O/c1-2-3-8(6-13)15-11(16)9-4-5-14-7-10(9)12/h4-5,7-8H,2-3H2,1H3,(H,15,16)
InChIKeyHYEBELREWLAOQM-UHFFFAOYSA-N
XLogP2.16
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide
CID 82829779
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 66484526
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207
(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid
CID 66462208
3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 136574314
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
CID 82939115
4-bromo-2-chloro-N-(1-cyanopropyl)benzamide
CID 61119482
N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide
CID 66484299
3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide
CID 95905491
(2R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750607

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide (CID 66462809) is 3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide is CCCC(C#N)NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide?
The InChIKey is HYEBELREWLAOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-2-3-8(6-13)15-11(16)9-4-5-14-7-10(9)12/h4-5,7-8H,2-3H2,1H3,(H,15,16).
What are the key properties of 3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide?
3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide has a molecular weight of 237.69 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide is sourced from PubChem (CID 66462809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).