6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile

C18H21BrN4O — CID 170792046

IUPAC6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile
SMILESCC1CCC(N(C)c2c(C#N)c(=O)n(C)c3ccc(Br)nc23)CC1
InChIInChI=1S/C18H21BrN4O/c1-11-4-6-12(7-5-11)22(2)17-13(10-20)18(24)23(3)14-8-9-15(19)21-16(14)17/h8-9,11-12H,4-7H2,1-3H3
InChIKeyKBJUHWWEDRHZIT-UHFFFAOYSA-N
MW389.30 g/mol
LogP3.58
Rot. Bonds2

About 6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile

6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile (PubChem CID 170792046) has the molecular formula C18H21BrN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is 6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile
PubChem CID170792046
Molecular FormulaC18H21BrN4O
Molecular Weight389.30 g/mol
Exact Mass388.09
IUPAC Name6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile
SMILESCC1CCC(N(C)c2c(C#N)c(=O)n(C)c3ccc(Br)nc23)CC1
InChIInChI=1S/C18H21BrN4O/c1-11-4-6-12(7-5-11)22(2)17-13(10-20)18(24)23(3)14-8-9-15(19)21-16(14)17/h8-9,11-12H,4-7H2,1-3H3
InChIKeyKBJUHWWEDRHZIT-UHFFFAOYSA-N
XLogP3.58
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-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

4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 175993662
8-[[4-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539724
6-chloro-4-[[4-[(Z)-N-cyclopropyloxy-C-phenylcarbonimidoyl]cyclohexyl]-methylamino]-1-methyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 166903758
8-[[4-[N-(cyclopropylmethyl)-4-fluoro-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539532
5-methyl-8-[methyl-[4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-pyridin-2-ylcarbonimidoyl]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 168962840
8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;N-(cyclohexylmethyl)-4-fluoroaniline
CID 164539528
8-[[4-[N-(cyclobutylmethyl)-4-fluoro-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539765
8-[[4-[(Z)-C-(5-fluoro-1-methylpyrazol-3-yl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 168962548
6-chloro-4-[[4-[(Z)-C-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]cyclohexyl]-methylamino]-1-methyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 168962665
8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;(Z)-N-[(2-methylpropan-2-yl)oxy]-1-pyrimidin-4-ylmethanimine
CID 168962726
4-[[4-[1,3-benzodioxol-4-yl(cyclobutylmethyl)amino]cyclohexyl]-methylamino]-6-chloro-1-methyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 164539836
8-[[4-[(Z)-N-(difluoromethoxy)-C-pyrimidin-4-ylcarbonimidoyl]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 168962760

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile (CID 170792046) is 6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile is CC1CCC(N(C)c2c(C#N)c(=O)n(C)c3ccc(Br)nc23)CC1.
What is the InChIKey of 6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile?
The InChIKey is KBJUHWWEDRHZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O/c1-11-4-6-12(7-5-11)22(2)17-13(10-20)18(24)23(3)14-8-9-15(19)21-16(14)17/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile?
6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile has a molecular weight of 389.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-oxo-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 170792046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).