1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C17H21N3O2 — CID 7619418

IUPAC1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)c1cc2cccnc2n(C)c1=O
InChIInChI=1S/C17H21N3O2/c1-11-6-3-4-8-14(11)19-16(21)13-10-12-7-5-9-18-15(12)20(2)17(13)22/h5,7,9-11,14H,3-4,6,8H2,1-2H3,(H,19,21)/t11-,14+/m0/s1
InChIKeyNOMLUQCYTWKQPD-SMDDNHRTSA-N
MW299.37 g/mol
LogP2.24
Rot. Bonds2

About 1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide

1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7619418) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7619418
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)c1cc2cccnc2n(C)c1=O
InChIInChI=1S/C17H21N3O2/c1-11-6-3-4-8-14(11)19-16(21)13-10-12-7-5-9-18-15(12)20(2)17(13)22/h5,7,9-11,14H,3-4,6,8H2,1-2H3,(H,19,21)/t11-,14+/m0/s1
InChIKeyNOMLUQCYTWKQPD-SMDDNHRTSA-N
XLogP2.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619800
N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620470
1-[(4-fluorophenyl)methyl]-N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620734
1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620975
1-[(2-fluorophenyl)methyl]-N-[(1R,2R)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620974
1-methyl-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]-1,8-naphthyridine-3-carboxamide
CID 7619405
N-ethyl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619354
N-cyclopentyl-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619782
N-(2-chlorophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619491
2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione
CID 123276386
2-amino-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 53334696
N-benzhydryl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619434

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7619418) is 1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide is C[C@H]1CCCC[C@H]1NC(=O)c1cc2cccnc2n(C)c1=O.
What is the InChIKey of 1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is NOMLUQCYTWKQPD-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-6-3-4-8-14(11)19-16(21)13-10-12-7-5-9-18-15(12)20(2)17(13)22/h5,7,9-11,14H,3-4,6,8H2,1-2H3,(H,19,21)/t11-,14+/m0/s1.
What are the key properties of 1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7619418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).