4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide

C17H25ClN2O — CID 81229203

IUPAC4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2cnccc2Cl)CC1
InChIInChI=1S/C17H25ClN2O/c1-4-17(2,3)12-5-7-13(8-6-12)20-16(21)14-11-19-10-9-15(14)18/h9-13H,4-8H2,1-3H3,(H,20,21)
InChIKeyDTLARTMLZMJZBS-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.46
Rot. Bonds4

About 4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide

4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 81229203) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide
PubChem CID81229203
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2cnccc2Cl)CC1
InChIInChI=1S/C17H25ClN2O/c1-4-17(2,3)12-5-7-13(8-6-12)20-16(21)14-11-19-10-9-15(14)18/h9-13H,4-8H2,1-3H3,(H,20,21)
InChIKeyDTLARTMLZMJZBS-UHFFFAOYSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-4-carboxamide
CID 66482736
N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide
CID 18155873
4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide
CID 81225808
4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide
CID 81232941
5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46546093
4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 103875358
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 81230031
5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide
CID 18272889
N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide
CID 81235124
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 81232502
N-(4-ethylcyclohexyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069028
N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide
CID 105067977

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide (CID 81229203) is 4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide is CCC(C)(C)C1CCC(NC(=O)c2cnccc2Cl)CC1.
What is the InChIKey of 4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is DTLARTMLZMJZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-4-17(2,3)12-5-7-13(8-6-12)20-16(21)14-11-19-10-9-15(14)18/h9-13H,4-8H2,1-3H3,(H,20,21).
What are the key properties of 4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide?
4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 81229203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).