N-[(3-chlorophenyl)-cyanomethyl]-3-ethylpyridine-4-carboxamide

C16H14ClN3O — CID 75504607

IUPACN-[(3-chlorophenyl)-cyanomethyl]-3-ethylpyridine-4-carboxamide
SMILESCCc1cnccc1C(=O)NC(C#N)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O/c1-2-11-10-19-7-6-14(11)16(21)20-15(9-18)12-4-3-5-13(17)8-12/h3-8,10,15H,2H2,1H3,(H,20,21)
InChIKeyGVQIDNPARVWAKK-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.29
Rot. Bonds4

About N-[(3-chlorophenyl)-cyanomethyl]-3-ethylpyridine-4-carboxamide

N-[(3-chlorophenyl)-cyanomethyl]-3-ethylpyridine-4-carboxamide (PubChem CID 75504607) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-cyanomethyl]-3-ethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-cyanomethyl]-3-ethylpyridine-4-carboxamide
PubChem CID75504607
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-[(3-chlorophenyl)-cyanomethyl]-3-ethylpyridine-4-carboxamide
SMILESCCc1cnccc1C(=O)NC(C#N)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O/c1-2-11-10-19-7-6-14(11)16(21)20-15(9-18)12-4-3-5-13(17)8-12/h3-8,10,15H,2H2,1H3,(H,20,21)
InChIKeyGVQIDNPARVWAKK-UHFFFAOYSA-N
XLogP3.29
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide
CID 96549369
N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide
CID 166229323
4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide
CID 60717552
(2S)-2-(3-chlorophenyl)-2-(methylamino)acetonitrile
CID 28699729
3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide
CID 66462809
(2R)-2-(3-chlorophenyl)butanenitrile
CID 175457455
N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide
CID 82117028
N-[(3-chlorophenyl)-cyanomethyl]-4-hydroxy-3-nitrobenzamide
CID 75504897
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-hydroxypyridine-4-carboxamide
CID 97320910
2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide
CID 167839767
2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide
CID 685432
(2R)-N-[(R)-(3-chlorophenyl)-cyanomethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95159026

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-cyanomethyl]-3-ethylpyridine-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)-cyanomethyl]-3-ethylpyridine-4-carboxamide (CID 75504607) is N-[(3-chlorophenyl)-cyanomethyl]-3-ethylpyridine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)-cyanomethyl]-3-ethylpyridine-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)-cyanomethyl]-3-ethylpyridine-4-carboxamide is CCc1cnccc1C(=O)NC(C#N)c1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)-cyanomethyl]-3-ethylpyridine-4-carboxamide?
The InChIKey is GVQIDNPARVWAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-2-11-10-19-7-6-14(11)16(21)20-15(9-18)12-4-3-5-13(17)8-12/h3-8,10,15H,2H2,1H3,(H,20,21).
What are the key properties of N-[(3-chlorophenyl)-cyanomethyl]-3-ethylpyridine-4-carboxamide?
N-[(3-chlorophenyl)-cyanomethyl]-3-ethylpyridine-4-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-cyanomethyl]-3-ethylpyridine-4-carboxamide is sourced from PubChem (CID 75504607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).