4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide

C16H20N4O — CID 117073521

IUPAC4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide
SMILESCc1cc2c(NC(=O)C3CCC(N)CC3)cccc2nn1
InChIInChI=1S/C16H20N4O/c1-10-9-13-14(3-2-4-15(13)20-19-10)18-16(21)11-5-7-12(17)8-6-11/h2-4,9,11-12H,5-8,17H2,1H3,(H,18,21)
InChIKeyMJNYHGTUQAPEAD-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.39
Rot. Bonds2

About 4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide

4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide (PubChem CID 117073521) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide
PubChem CID117073521
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide
SMILESCc1cc2c(NC(=O)C3CCC(N)CC3)cccc2nn1
InChIInChI=1S/C16H20N4O/c1-10-9-13-14(3-2-4-15(13)20-19-10)18-16(21)11-5-7-12(17)8-6-11/h2-4,9,11-12H,5-8,17H2,1H3,(H,18,21)
InChIKeyMJNYHGTUQAPEAD-UHFFFAOYSA-N
XLogP2.39
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide
CID 60851927
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748
(2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 125155904
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 121118852
4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 60847644
4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 54928746
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992
3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
CID 60849041
4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 60848284
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide (CID 117073521) is 4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide is Cc1cc2c(NC(=O)C3CCC(N)CC3)cccc2nn1.
What is the InChIKey of 4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide?
The InChIKey is MJNYHGTUQAPEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-9-13-14(3-2-4-15(13)20-19-10)18-16(21)11-5-7-12(17)8-6-11/h2-4,9,11-12H,5-8,17H2,1H3,(H,18,21).
What are the key properties of 4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide?
4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 117073521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).