6-(4-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide

C19H22ClN3O2 — CID 71093600

IUPAC6-(4-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1cccc(-c2ccc(Cl)cc2)n1)C(=O)NC
InChIInChI=1S/C19H22ClN3O2/c1-4-19(5-2,18(25)21-3)23-17(24)16-8-6-7-15(22-16)13-9-11-14(20)12-10-13/h6-12H,4-5H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyYQBCNOJHSPFHPI-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.44
Rot. Bonds6

About 6-(4-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide

6-(4-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide (PubChem CID 71093600) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
PubChem CID71093600
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name6-(4-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1cccc(-c2ccc(Cl)cc2)n1)C(=O)NC
InChIInChI=1S/C19H22ClN3O2/c1-4-19(5-2,18(25)21-3)23-17(24)16-8-6-7-15(22-16)13-9-11-14(20)12-10-13/h6-12H,4-5H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyYQBCNOJHSPFHPI-UHFFFAOYSA-N
XLogP3.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 44237001
Pyridine amide, 27
CID 44237002
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CID 53481984
4-N-cyclopropyl-2-N-methyl-6-[(1S)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 132185545
6-benzyl-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 132186011
2-chloro-N-(pyridin-2-ylmethyl)benzamide
CID 668839
(3,4-Dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10550047
6,7-dichloro-4-(4-fluoro-3-(4-pivaloylpiperazine-1-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46230332
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methylacetamide
CID 53356519
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide
CID 57392724
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylacetamide
CID 57403169
Pyridine amide, 28
CID 44237003

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide (CID 71093600) is 6-(4-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide is CCC(CC)(NC(=O)c1cccc(-c2ccc(Cl)cc2)n1)C(=O)NC.
What is the InChIKey of 6-(4-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The InChIKey is YQBCNOJHSPFHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-4-19(5-2,18(25)21-3)23-17(24)16-8-6-7-15(22-16)13-9-11-14(20)12-10-13/h6-12H,4-5H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of 6-(4-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
6-(4-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71093600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).