3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide

C13H19N3O2 — CID 119782681

IUPAC3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCn1cccc(NC(=O)C2CCCC(N)C2)c1=O
InChIInChI=1S/C13H19N3O2/c1-16-7-3-6-11(13(16)18)15-12(17)9-4-2-5-10(14)8-9/h3,6-7,9-10H,2,4-5,8,14H2,1H3,(H,15,17)
InChIKeyYOJXHGUWQDIJAK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.84
Rot. Bonds2

About 3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide

3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 119782681) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID119782681
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCn1cccc(NC(=O)C2CCCC(N)C2)c1=O
InChIInChI=1S/C13H19N3O2/c1-16-7-3-6-11(13(16)18)15-12(17)9-4-2-5-10(14)8-9/h3,6-7,9-10H,2,4-5,8,14H2,1H3,(H,15,17)
InChIKeyYOJXHGUWQDIJAK-UHFFFAOYSA-N
XLogP0.84
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143
3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 119671192
3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119711788
3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119740865
N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride
CID 119711154
1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide
CID 119870587
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119870586
3-amino-N-[2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 66010603

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide (CID 119782681) is 3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide is Cn1cccc(NC(=O)C2CCCC(N)C2)c1=O.
What is the InChIKey of 3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is YOJXHGUWQDIJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16-7-3-6-11(13(16)18)15-12(17)9-4-2-5-10(14)8-9/h3,6-7,9-10H,2,4-5,8,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119782681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).