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

C16H23BrN2O — CID 63526340

IUPAC5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCC(C(C)C)C(NC(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C16H23BrN2O/c1-10(2)14-5-4-11(3)6-15(14)19-16(20)12-7-13(17)9-18-8-12/h7-11,14-15H,4-6H2,1-3H3,(H,19,20)
InChIKeyQTXSXWPRLQRXDW-UHFFFAOYSA-N
MW339.28 g/mol
LogP4.03
Rot. Bonds3

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

5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide (PubChem CID 63526340) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
PubChem CID63526340
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCC(C(C)C)C(NC(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C16H23BrN2O/c1-10(2)14-5-4-11(3)6-15(14)19-16(20)12-7-13(17)9-18-8-12/h7-11,14-15H,4-6H2,1-3H3,(H,19,20)
InChIKeyQTXSXWPRLQRXDW-UHFFFAOYSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide
CID 130552943
2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 107951942
N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
CID 126621339
4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide
CID 80536614
N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide
CID 47350810
N-(5-methyl-2-propan-2-ylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47234721
3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
CID 66482936
5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 63997417
5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide
CID 114301232
2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 61214396
5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 1122328
4-(cyclopropylsulfamoyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 55662861

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide (CID 63526340) is 5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide is CC1CCC(C(C)C)C(NC(=O)c2cncc(Br)c2)C1.
What is the InChIKey of 5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is QTXSXWPRLQRXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-10(2)14-5-4-11(3)6-15(14)19-16(20)12-7-13(17)9-18-8-12/h7-11,14-15H,4-6H2,1-3H3,(H,19,20).
What are the key properties of 5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide?
5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 63526340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).