1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid

C24H21N3O3 — CID 15316729

IUPAC1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid
SMILES[H]/N=c1\c(C(=O)O)cc2c(=O)n(Cc3ccccc3)c(C)cc2n1Cc1ccccc1
InChIInChI=1S/C24H21N3O3/c1-16-12-21-19(23(28)26(16)14-17-8-4-2-5-9-17)13-20(24(29)30)22(25)27(21)15-18-10-6-3-7-11-18/h2-13,25H,14-15H2,1H3,(H,29,30)/b25-22+
InChIKeyPCUBJOVFCBAIJH-YYDJUVGSSA-N
MW399.45 g/mol
LogP3.39
Rot. Bonds5

About 1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid

1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid (PubChem CID 15316729) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid
PubChem CID15316729
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid
SMILES[H]/N=c1\c(C(=O)O)cc2c(=O)n(Cc3ccccc3)c(C)cc2n1Cc1ccccc1
InChIInChI=1S/C24H21N3O3/c1-16-12-21-19(23(28)26(16)14-17-8-4-2-5-9-17)13-20(24(29)30)22(25)27(21)15-18-10-6-3-7-11-18/h2-13,25H,14-15H2,1H3,(H,29,30)/b25-22+
InChIKeyPCUBJOVFCBAIJH-YYDJUVGSSA-N
XLogP3.39
TPSA88.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

propan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 10808832
1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile
CID 23238625
1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid
CID 59067461
ethyl 7-benzyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
CID 651615
1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate
CID 7347203
7-(cyclodecapentaenylmethyl)-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 166798239
ethyl 7-benzyl-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
CID 989075
7-benzyl-6-imino-11-methyl-2-oxo-N-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3743585
2-benzyl-5-chloro-3-methylisoquinolin-1-one
CID 170901947
7-benzyl-5-(4-ethylpiperazine-1-carbonyl)-6-imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
CID 3831731
1-benzyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 23855308
7-benzyl-N-[(4-fluorophenyl)methyl]-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3879041

Frequently Asked Questions

What is the IUPAC name of 1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid (CID 15316729) is 1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid is [H]/N=c1\c(C(=O)O)cc2c(=O)n(Cc3ccccc3)c(C)cc2n1Cc1ccccc1.
What is the InChIKey of 1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is PCUBJOVFCBAIJH-YYDJUVGSSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-12-21-19(23(28)26(16)14-17-8-4-2-5-9-17)13-20(24(29)30)22(25)27(21)15-18-10-6-3-7-11-18/h2-13,25H,14-15H2,1H3,(H,29,30)/b25-22+.
What are the key properties of 1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid?
1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 399.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 15316729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).