6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide

C14H20N2O — CID 31825212

IUPAC6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H]2CCCC[C@H]2C)n1
InChIInChI=1S/C14H20N2O/c1-10-6-3-4-8-12(10)16-14(17)13-9-5-7-11(2)15-13/h5,7,9-10,12H,3-4,6,8H2,1-2H3,(H,16,17)/t10-,12-/m1/s1
InChIKeyTXRSGYURZUTBES-ZYHUDNBSSA-N
MW232.33 g/mol
LogP2.70
Rot. Bonds2

About 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide

6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide (PubChem CID 31825212) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide
PubChem CID31825212
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H]2CCCC[C@H]2C)n1
InChIInChI=1S/C14H20N2O/c1-10-6-3-4-8-12(10)16-14(17)13-9-5-7-11(2)15-13/h5,7,9-10,12H,3-4,6,8H2,1-2H3,(H,16,17)/t10-,12-/m1/s1
InChIKeyTXRSGYURZUTBES-ZYHUDNBSSA-N
XLogP2.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide (CID 31825212) is 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide is Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2C)n1.
What is the InChIKey of 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide?
The InChIKey is TXRSGYURZUTBES-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-6-3-4-8-12(10)16-14(17)13-9-5-7-11(2)15-13/h5,7,9-10,12H,3-4,6,8H2,1-2H3,(H,16,17)/t10-,12-/m1/s1.
What are the key properties of 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide?
6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 31825212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).