1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide

C20H21N3O2 — CID 43995808

IUPAC1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc2cccnc2n(C)c1=O
InChIInChI=1S/C20H21N3O2/c1-14(10-11-15-7-4-3-5-8-15)22-19(24)17-13-16-9-6-12-21-18(16)23(2)20(17)25/h3-9,12-14H,10-11H2,1-2H3,(H,22,24)
InChIKeyYBABDUPMNQJDKQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.68
Rot. Bonds5

About 1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide

1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 43995808) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
PubChem CID43995808
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc2cccnc2n(C)c1=O
InChIInChI=1S/C20H21N3O2/c1-14(10-11-15-7-4-3-5-8-15)22-19(24)17-13-16-9-6-12-21-18(16)23(2)20(17)25/h3-9,12-14H,10-11H2,1-2H3,(H,22,24)
InChIKeyYBABDUPMNQJDKQ-UHFFFAOYSA-N
XLogP2.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.68
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-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 7619828
1-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7619432
1-methyl-2-oxo-N-(3-phenylpropyl)-1,8-naphthyridine-3-carboxamide
CID 7619447
N-benzhydryl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619434
N-ethyl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619354
1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620106
2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 53001038
[(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium
CID 7620129
N-(2-chlorophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619491
2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4877259
N-butan-2-yl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996260

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide (CID 43995808) is 1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide is CC(CCc1ccccc1)NC(=O)c1cc2cccnc2n(C)c1=O.
What is the InChIKey of 1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is YBABDUPMNQJDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(10-11-15-7-4-3-5-8-15)22-19(24)17-13-16-9-6-12-21-18(16)23(2)20(17)25/h3-9,12-14H,10-11H2,1-2H3,(H,22,24).
What are the key properties of 1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide?
1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 43995808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).