1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile

C25H22N4O — CID 23238625

IUPAC1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile
SMILES[H]/N=c1\c(C#N)cc2c(=O)n(CCc3ccccc3)c(C)cc2n1Cc1ccccc1
InChIInChI=1S/C25H22N4O/c1-18-14-23-22(25(30)28(18)13-12-19-8-4-2-5-9-19)15-21(16-26)24(27)29(23)17-20-10-6-3-7-11-20/h2-11,14-15,27H,12-13,17H2,1H3/b27-24+
InChIKeyIIFQIPKNLUBRLM-SOYKGTTHSA-N
MW394.48 g/mol
LogP3.75
Rot. Bonds5

About 1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile

1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile (PubChem CID 23238625) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile
PubChem CID23238625
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile
SMILES[H]/N=c1\c(C#N)cc2c(=O)n(CCc3ccccc3)c(C)cc2n1Cc1ccccc1
InChIInChI=1S/C25H22N4O/c1-18-14-23-22(25(30)28(18)13-12-19-8-4-2-5-9-19)15-21(16-26)24(27)29(23)17-20-10-6-3-7-11-20/h2-11,14-15,27H,12-13,17H2,1H3/b27-24+
InChIKeyIIFQIPKNLUBRLM-SOYKGTTHSA-N
XLogP3.75
TPSA74.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid
CID 15316729
propan-2-yl 1-benzyl-2-imino-6,7-dimethyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 10808832
6-imino-7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
CID 662152
6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
CID 3751351
2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]acetonitrile
CID 12951925
ethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate
CID 153408397
1-ethyl-2-imino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
CID 46900707
2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 633879
6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione
CID 15992644
2-benzyl-5-chloro-3-methylisoquinolin-1-one
CID 170901947
[[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoyl]amino] acetate
CID 150377119
(4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 134715975

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile (CID 23238625) is 1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile is [H]/N=c1\c(C#N)cc2c(=O)n(CCc3ccccc3)c(C)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile?
The InChIKey is IIFQIPKNLUBRLM-SOYKGTTHSA-N. The full InChI is InChI=1S/C25H22N4O/c1-18-14-23-22(25(30)28(18)13-12-19-8-4-2-5-9-19)15-21(16-26)24(27)29(23)17-20-10-6-3-7-11-20/h2-11,14-15,27H,12-13,17H2,1H3/b27-24+.
What are the key properties of 1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile?
1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile has a molecular weight of 394.48 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 23238625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).