6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide

C13H19N3O — CID 62240010

IUPAC6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2cccc(N)n2)CCCCC1
InChIInChI=1S/C13H19N3O/c1-13(8-3-2-4-9-13)16-12(17)10-6-5-7-11(14)15-10/h5-7H,2-4,8-9H2,1H3,(H2,14,15)(H,16,17)
InChIKeyVTDAVCQNKRRNCQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.12
Rot. Bonds2

About 6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide

6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide (PubChem CID 62240010) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide
PubChem CID62240010
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2cccc(N)n2)CCCCC1
InChIInChI=1S/C13H19N3O/c1-13(8-3-2-4-9-13)16-12(17)10-6-5-7-11(14)15-10/h5-7H,2-4,8-9H2,1H3,(H2,14,15)(H,16,17)
InChIKeyVTDAVCQNKRRNCQ-UHFFFAOYSA-N
XLogP2.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide (CID 62240010) is 6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide is CC1(NC(=O)c2cccc(N)n2)CCCCC1.
What is the InChIKey of 6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide?
The InChIKey is VTDAVCQNKRRNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(8-3-2-4-9-13)16-12(17)10-6-5-7-11(14)15-10/h5-7H,2-4,8-9H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of 6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide?
6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 62240010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).