5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile

C26H29N5O2 — CID 164539576

IUPAC5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCn1c(=O)cc(NC2CCC(N(CC3COC3)c3ccccc3)CC2)c2nc(C#N)ccc21
InChIInChI=1S/C26H29N5O2/c1-30-24-12-9-20(14-27)29-26(24)23(13-25(30)32)28-19-7-10-22(11-8-19)31(15-18-16-33-17-18)21-5-3-2-4-6-21/h2-6,9,12-13,18-19,22,28H,7-8,10-11,15-17H2,1H3
InChIKeyBINBCGYJYLDTKX-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.68
Rot. Bonds6

About 5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile

5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 164539576) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile
PubChem CID164539576
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCn1c(=O)cc(NC2CCC(N(CC3COC3)c3ccccc3)CC2)c2nc(C#N)ccc21
InChIInChI=1S/C26H29N5O2/c1-30-24-12-9-20(14-27)29-26(24)23(13-25(30)32)28-19-7-10-22(11-8-19)31(15-18-16-33-17-18)21-5-3-2-4-6-21/h2-6,9,12-13,18-19,22,28H,7-8,10-11,15-17H2,1H3
InChIKeyBINBCGYJYLDTKX-UHFFFAOYSA-N
XLogP3.68
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 164539546
8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 170792029
8-[N-(cyclopropylmethyl)-4-(trifluoromethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 170792101
8-[[4-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539724
3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide
CID 175993656
8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 170792027
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-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 175993650
8-[[4-[N-(cyclobutylmethyl)-4-fluoro-2-methoxyanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539677
8-[[4-[N-(cyclobutylmethyl)-4-fluoro-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539765
8-[[4-[N-(cyclobutylmethyl)-3-(difluoromethoxy)-4-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539618

Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile?
The IUPAC name of 5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 164539576) is 5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile.
What is the SMILES notation for 5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile?
The canonical SMILES for 5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile is Cn1c(=O)cc(NC2CCC(N(CC3COC3)c3ccccc3)CC2)c2nc(C#N)ccc21.
What is the InChIKey of 5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile?
The InChIKey is BINBCGYJYLDTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-30-24-12-9-20(14-27)29-26(24)23(13-25(30)32)28-19-7-10-22(11-8-19)31(15-18-16-33-17-18)21-5-3-2-4-6-21/h2-6,9,12-13,18-19,22,28H,7-8,10-11,15-17H2,1H3.
What are the key properties of 5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile?
5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 443.55 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 164539576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).