1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide

C21H23N3O2 — CID 7619828

IUPAC1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(=O)c(C(=O)N[C@H](C)CCc2ccccc2)cc2cccnc21
InChIInChI=1S/C21H23N3O2/c1-3-24-19-17(10-7-13-22-19)14-18(21(24)26)20(25)23-15(2)11-12-16-8-5-4-6-9-16/h4-10,13-15H,3,11-12H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyVIFXWLUTVWDKGZ-OAHLLOKOSA-N
MW349.43 g/mol
LogP3.17
Rot. Bonds6

About 1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide

1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide (PubChem CID 7619828) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
PubChem CID7619828
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(=O)c(C(=O)N[C@H](C)CCc2ccccc2)cc2cccnc21
InChIInChI=1S/C21H23N3O2/c1-3-24-19-17(10-7-13-22-19)14-18(21(24)26)20(25)23-15(2)11-12-16-8-5-4-6-9-16/h4-10,13-15H,3,11-12H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyVIFXWLUTVWDKGZ-OAHLLOKOSA-N
XLogP3.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 7620195
1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 43995808
[(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium
CID 7620129
1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620106
N-(3,3-diphenylpropyl)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619829
N-butan-2-yl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996260
2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 93060405
2-[(1-ethyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]benzenethiolate
CID 135782783
1-ethyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 7619878
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085
1-ethyl-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619808
N-cyclopentyl-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619782

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide (CID 7619828) is 1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide is CCn1c(=O)c(C(=O)N[C@H](C)CCc2ccccc2)cc2cccnc21.
What is the InChIKey of 1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is VIFXWLUTVWDKGZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-24-19-17(10-7-13-22-19)14-18(21(24)26)20(25)23-15(2)11-12-16-8-5-4-6-9-16/h4-10,13-15H,3,11-12H2,1-2H3,(H,23,25)/t15-/m1/s1.
What are the key properties of 1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide?
1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7619828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).