8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile

C29H31FN6O — CID 164539611

IUPAC8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
SMILESCc1cc(F)cc(N(CC2CC2)C2CCC(N(C)c3c(C#N)c(=O)n(C)c4ccc(C#N)nc34)CC2)c1
InChIInChI=1S/C29H31FN6O/c1-18-12-20(30)14-24(13-18)36(17-19-4-5-19)23-9-7-22(8-10-23)34(2)28-25(16-32)29(37)35(3)26-11-6-21(15-31)33-27(26)28/h6,11-14,19,22-23H,4-5,7-10,17H2,1-3H3
InChIKeyQOLRUXAIOMJDTG-UHFFFAOYSA-N
MW498.61 g/mol
LogP4.79
Rot. Bonds6

About 8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile

8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile (PubChem CID 164539611) has the molecular formula C29H31FN6O and a molecular weight of 498.61 g/mol. Its IUPAC name is 8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile.

Molecular Properties

Compound Name8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
PubChem CID164539611
Molecular FormulaC29H31FN6O
Molecular Weight498.61 g/mol
Exact Mass498.25
IUPAC Name8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
SMILESCc1cc(F)cc(N(CC2CC2)C2CCC(N(C)c3c(C#N)c(=O)n(C)c4ccc(C#N)nc34)CC2)c1
InChIInChI=1S/C29H31FN6O/c1-18-12-20(30)14-24(13-18)36(17-19-4-5-19)23-9-7-22(8-10-23)34(2)28-25(16-32)29(37)35(3)26-11-6-21(15-31)33-27(26)28/h6,11-14,19,22-23H,4-5,7-10,17H2,1-3H3
InChIKeyQOLRUXAIOMJDTG-UHFFFAOYSA-N
XLogP4.79
TPSA88.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile?
The IUPAC name of 8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile (CID 164539611) is 8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile.
What is the SMILES notation for 8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile?
The canonical SMILES for 8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile is Cc1cc(F)cc(N(CC2CC2)C2CCC(N(C)c3c(C#N)c(=O)n(C)c4ccc(C#N)nc34)CC2)c1.
What is the InChIKey of 8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile?
The InChIKey is QOLRUXAIOMJDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN6O/c1-18-12-20(30)14-24(13-18)36(17-19-4-5-19)23-9-7-22(8-10-23)34(2)28-25(16-32)29(37)35(3)26-11-6-21(15-31)33-27(26)28/h6,11-14,19,22-23H,4-5,7-10,17H2,1-3H3.
What are the key properties of 8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile?
8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile has a molecular weight of 498.61 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile is sourced from PubChem (CID 164539611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).