8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

C29H25FN4O — CID 175993650

IUPAC8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCn1c(=O)cc(N(CC2CC2)c2ccc(C3CC3)c(-c3cccc(F)c3)c2)c2nc(C#N)ccc21
InChIInChI=1S/C29H25FN4O/c1-33-26-12-9-22(16-31)32-29(26)27(15-28(33)35)34(17-18-5-6-18)23-10-11-24(19-7-8-19)25(14-23)20-3-2-4-21(30)13-20/h2-4,9-15,18-19H,5-8,17H2,1H3
InChIKeyRTSQGGAFUGXRIN-UHFFFAOYSA-N
MW464.54 g/mol
LogP6.04
Rot. Bonds6

About 8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 175993650) has the molecular formula C29H25FN4O and a molecular weight of 464.54 g/mol. Its IUPAC name is 8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
PubChem CID175993650
Molecular FormulaC29H25FN4O
Molecular Weight464.54 g/mol
Exact Mass464.20
IUPAC Name8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCn1c(=O)cc(N(CC2CC2)c2ccc(C3CC3)c(-c3cccc(F)c3)c2)c2nc(C#N)ccc21
InChIInChI=1S/C29H25FN4O/c1-33-26-12-9-22(16-31)32-29(26)27(15-28(33)35)34(17-18-5-6-18)23-10-11-24(19-7-8-19)25(14-23)20-3-2-4-21(30)13-20/h2-4,9-15,18-19H,5-8,17H2,1H3
InChIKeyRTSQGGAFUGXRIN-UHFFFAOYSA-N
XLogP6.04
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.54
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile with MolForge

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Related Compounds

8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 170792029
8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 170792027
8-[N-(cyclopropylmethyl)-4-(trifluoromethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 170792101
3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide
CID 175993656
8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 164539546
8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 170792083
8-[[4-[N-(cyclopropylmethyl)-4-fluoro-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539532
8-[[4-[N-(cyclobutylmethyl)-4-fluoro-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539765
8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 169123358
5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 164539576
8-[[4-[N-(cyclobutylmethyl)-4-fluoro-2-(hydroxymethyl)anilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539537
8-[[4-[N-(cyclobutylmethyl)-4-fluoro-2-methoxyanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539677

Frequently Asked Questions

What is the IUPAC name of 8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The IUPAC name of 8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 175993650) is 8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.
What is the SMILES notation for 8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The canonical SMILES for 8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is Cn1c(=O)cc(N(CC2CC2)c2ccc(C3CC3)c(-c3cccc(F)c3)c2)c2nc(C#N)ccc21.
What is the InChIKey of 8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The InChIKey is RTSQGGAFUGXRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O/c1-33-26-12-9-22(16-31)32-29(26)27(15-28(33)35)34(17-18-5-6-18)23-10-11-24(19-7-8-19)25(14-23)20-3-2-4-21(30)13-20/h2-4,9-15,18-19H,5-8,17H2,1H3.
What are the key properties of 8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 464.54 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 175993650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).