1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide

C20H21N3O3 — CID 7620106

IUPAC1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H21N3O3/c1-14(13-26-2)22-19(24)17-11-16-9-6-10-21-18(16)23(20(17)25)12-15-7-4-3-5-8-15/h3-11,14H,12-13H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyWQMNHXZPSHCRMM-AWEZNQCLSA-N
MW351.41 g/mol
LogP2.21
Rot. Bonds6

About 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide

1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7620106) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7620106
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H21N3O3/c1-14(13-26-2)22-19(24)17-11-16-9-6-10-21-18(16)23(20(17)25)12-15-7-4-3-5-8-15/h3-11,14H,12-13H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyWQMNHXZPSHCRMM-AWEZNQCLSA-N
XLogP2.21
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 7620195
[(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium
CID 7620129
N-butan-2-yl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996260
1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 7619828
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085
N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 26844200
N-benzyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620472
1-benzyl-N-(4-ethoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620250
1-benzyl-2-oxo-N-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 7620181
1-benzyl-N-(2-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620230
1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 43995808
1-benzyl-N-(2-carbamoylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620334

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7620106) is 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide is COC[C@H](C)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is WQMNHXZPSHCRMM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(13-26-2)22-19(24)17-11-16-9-6-10-21-18(16)23(20(17)25)12-15-7-4-3-5-8-15/h3-11,14H,12-13H2,1-2H3,(H,22,24)/t14-/m0/s1.
What are the key properties of 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide?
1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).