N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide

C13H19N3O — CID 81478295

IUPACN-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(N)nc2)CC1
InChIInChI=1S/C13H19N3O/c1-9-2-4-10(5-3-9)13(17)16-11-6-7-12(14)15-8-11/h6-10H,2-5H2,1H3,(H2,14,15)(H,16,17)
InChIKeyCYTJFKQECCJHFK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.43
Rot. Bonds2

About N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide

N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 81478295) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide
PubChem CID81478295
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(N)nc2)CC1
InChIInChI=1S/C13H19N3O/c1-9-2-4-10(5-3-9)13(17)16-11-6-7-12(14)15-8-11/h6-10H,2-5H2,1H3,(H2,14,15)(H,16,17)
InChIKeyCYTJFKQECCJHFK-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119514919
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CID 81331226
N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119516492
N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-4-carboxamide;hydrochloride
CID 119516000
N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 28660300
N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide
CID 82331648
N-[6-(propylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113009028
N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119515799
N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119515348
N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide
CID 110178754
N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119515400
N-(6-amino-3-pyridinyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide
CID 119515944

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide (CID 81478295) is N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)Nc2ccc(N)nc2)CC1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is CYTJFKQECCJHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-2-4-10(5-3-9)13(17)16-11-6-7-12(14)15-8-11/h6-10H,2-5H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide?
N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 81478295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).