5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide

C15H15ClN2O — CID 46032150

IUPAC5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cncc(-c2ccccc2Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-10(2)18-15(19)12-7-11(8-17-9-12)13-5-3-4-6-14(13)16/h3-10H,1-2H3,(H,18,19)
InChIKeyRAYUOROCULIRRV-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.54
Rot. Bonds3

About 5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide

5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 46032150) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID46032150
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cncc(-c2ccccc2Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-10(2)18-15(19)12-7-11(8-17-9-12)13-5-3-4-6-14(13)16/h3-10H,1-2H3,(H,18,19)
InChIKeyRAYUOROCULIRRV-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 46032155
3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101412
1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone
CID 82540749
5-hydroxy-N-propan-2-ylpyridine-3-carboxamide
CID 63864751
1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide
CID 10925336
methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate
CID 117222190
3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101366
5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide
CID 58833148
5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223207
5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232865
3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101470
ethyl 1-[5-(2-chlorophenyl)pyridine-3-carbonyl]piperidine-4-carboxylate
CID 46032163

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide (CID 46032150) is 5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1cncc(-c2ccccc2Cl)c1.
What is the InChIKey of 5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is RAYUOROCULIRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10(2)18-15(19)12-7-11(8-17-9-12)13-5-3-4-6-14(13)16/h3-10H,1-2H3,(H,18,19).
What are the key properties of 5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide?
5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 46032150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).