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

C28H32FN5O — CID 164539546

IUPAC8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCc1cc(F)cc(N(CC2CC2)C2CCC(N(C)c3cc(=O)n(C)c4ccc(C#N)nc34)CC2)c1
InChIInChI=1S/C28H32FN5O/c1-18-12-20(29)14-24(13-18)34(17-19-4-5-19)23-9-7-22(8-10-23)32(2)26-15-27(35)33(3)25-11-6-21(16-30)31-28(25)26/h6,11-15,19,22-23H,4-5,7-10,17H2,1-3H3
InChIKeyNDMBQHWZMUBCCV-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.92
Rot. Bonds6

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

8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 164539546) has the molecular formula C28H32FN5O and a molecular weight of 473.60 g/mol. Its IUPAC name is 8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
PubChem CID164539546
Molecular FormulaC28H32FN5O
Molecular Weight473.60 g/mol
Exact Mass473.26
IUPAC Name8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCc1cc(F)cc(N(CC2CC2)C2CCC(N(C)c3cc(=O)n(C)c4ccc(C#N)nc34)CC2)c1
InChIInChI=1S/C28H32FN5O/c1-18-12-20(29)14-24(13-18)34(17-19-4-5-19)23-9-7-22(8-10-23)32(2)26-15-27(35)33(3)25-11-6-21(16-30)31-28(25)26/h6,11-15,19,22-23H,4-5,7-10,17H2,1-3H3
InChIKeyNDMBQHWZMUBCCV-UHFFFAOYSA-N
XLogP4.92
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[[4-[N-(cyclopropylmethyl)-4-fluoro-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539532
8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 170792083
8-[N-(cyclopropylmethyl)-4-(trifluoromethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 170792101
8-[[4-[N-(cyclobutylmethyl)-4-fluoro-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539765
8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 170792029
8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 175993650
8-[[4-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539724
8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 170792027
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
5-methyl-8-[[4-[N-(oxetan-3-ylmethyl)anilino]cyclohexyl]amino]-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 164539576
8-[[4-[cyclobutylmethyl-(6-fluoro-4-methyl-3-pyridinyl)amino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 164539874

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-carbonitrile?
The IUPAC name of 8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 164539546) is 8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.
What is the SMILES notation for 8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The canonical SMILES for 8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is Cc1cc(F)cc(N(CC2CC2)C2CCC(N(C)c3cc(=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-carbonitrile?
The InChIKey is NDMBQHWZMUBCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O/c1-18-12-20(29)14-24(13-18)34(17-19-4-5-19)23-9-7-22(8-10-23)32(2)26-15-27(35)33(3)25-11-6-21(16-30)31-28(25)26/h6,11-15,19,22-23H,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-carbonitrile?
8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 473.60 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-carbonitrile is sourced from PubChem (CID 164539546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).