3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide

C16H23ClN2O — CID 66482936

IUPAC3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCC(C(C)C)C(NC(=O)c2ccncc2Cl)C1
InChIInChI=1S/C16H23ClN2O/c1-10(2)12-5-4-11(3)8-15(12)19-16(20)13-6-7-18-9-14(13)17/h6-7,9-12,15H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyNDGZXMUFHXSODO-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.93
Rot. Bonds3

About 3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide

3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide (PubChem CID 66482936) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
PubChem CID66482936
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCC(C(C)C)C(NC(=O)c2ccncc2Cl)C1
InChIInChI=1S/C16H23ClN2O/c1-10(2)12-5-4-11(3)8-15(12)19-16(20)13-6-7-18-9-14(13)17/h6-7,9-12,15H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyNDGZXMUFHXSODO-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
CID 6932663
5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 63483142
3-chloro-N-(3,5-dimethylcyclohexyl)pyridine-4-carboxamide
CID 66482604
2-(methylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 63552614
5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 63997417
2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 61214396
2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 107951942
N-(5-methyl-2-propan-2-ylcyclohexyl)-1H-indazole-7-carboxamide
CID 60547804
N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide
CID 47350810
5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
CID 63526340
3-(methylamino)-N-(2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
CID 105070917
3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 66482743

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide (CID 66482936) is 3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide is CC1CCC(C(C)C)C(NC(=O)c2ccncc2Cl)C1.
What is the InChIKey of 3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide?
The InChIKey is NDGZXMUFHXSODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-10(2)12-5-4-11(3)8-15(12)19-16(20)13-6-7-18-9-14(13)17/h6-7,9-12,15H,4-5,8H2,1-3H3,(H,19,20).
What are the key properties of 3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide?
3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 66482936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).