4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide

C16H17ClN2O — CID 81225795

IUPAC4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2cccc(C(C)C)c2)cn1
InChIInChI=1S/C16H17ClN2O/c1-10(2)12-5-4-6-13(8-12)19-16(20)14-9-18-11(3)7-15(14)17/h4-10H,1-3H3,(H,19,20)
InChIKeyHZBFIAZWCCFDGM-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.42
Rot. Bonds3

About 4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide

4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 81225795) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID81225795
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2cccc(C(C)C)c2)cn1
InChIInChI=1S/C16H17ClN2O/c1-10(2)12-5-4-6-13(8-12)19-16(20)14-9-18-11(3)7-15(14)17/h4-10H,1-3H3,(H,19,20)
InChIKeyHZBFIAZWCCFDGM-UHFFFAOYSA-N
XLogP4.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81228962
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292
4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 106509693
N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226921
4-chloro-N-(4-chloro-3-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81226487
4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226857
4-chloro-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81225554
5-chloro-6-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
CID 62243463
4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 27162860
3-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide
CID 105071923
4-chloro-6-methyl-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 81225722

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide (CID 81225795) is 4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)Nc2cccc(C(C)C)c2)cn1.
What is the InChIKey of 4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is HZBFIAZWCCFDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-10(2)12-5-4-6-13(8-12)19-16(20)14-9-18-11(3)7-15(14)17/h4-10H,1-3H3,(H,19,20).
What are the key properties of 4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide?
4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 81225795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).