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

C29H32N6O — CID 167120479

IUPAC8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
SMILESCc1ccccc1N(CC1CC1)C1CCC(N(C)c2c(C#N)c(=O)n(C)c3ccc(C#N)nc23)CC1
InChIInChI=1S/C29H32N6O/c1-19-6-4-5-7-25(19)35(18-20-8-9-20)23-13-11-22(12-14-23)33(2)28-24(17-31)29(36)34(3)26-15-10-21(16-30)32-27(26)28/h4-7,10,15,20,22-23H,8-9,11-14,18H2,1-3H3
InChIKeyUPZHXIBVUUXNOZ-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.65
Rot. Bonds6

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

8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile (PubChem CID 167120479) has the molecular formula C29H32N6O and a molecular weight of 480.62 g/mol. Its IUPAC name is 8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile.

Molecular Properties

Compound Name8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
PubChem CID167120479
Molecular FormulaC29H32N6O
Molecular Weight480.62 g/mol
Exact Mass480.26
IUPAC Name8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
SMILESCc1ccccc1N(CC1CC1)C1CCC(N(C)c2c(C#N)c(=O)n(C)c3ccc(C#N)nc23)CC1
InChIInChI=1S/C29H32N6O/c1-19-6-4-5-7-25(19)35(18-20-8-9-20)23-13-11-22(12-14-23)33(2)28-24(17-31)29(36)34(3)26-15-10-21(16-30)32-27(26)28/h4-7,10,15,20,22-23H,8-9,11-14,18H2,1-3H3
InChIKeyUPZHXIBVUUXNOZ-UHFFFAOYSA-N
XLogP4.65
TPSA88.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile?
The IUPAC name of 8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile (CID 167120479) is 8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile.
What is the SMILES notation for 8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile?
The canonical SMILES for 8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile is Cc1ccccc1N(CC1CC1)C1CCC(N(C)c2c(C#N)c(=O)n(C)c3ccc(C#N)nc23)CC1.
What is the InChIKey of 8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile?
The InChIKey is UPZHXIBVUUXNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O/c1-19-6-4-5-7-25(19)35(18-20-8-9-20)23-13-11-22(12-14-23)33(2)28-24(17-31)29(36)34(3)26-15-10-21(16-30)32-27(26)28/h4-7,10,15,20,22-23H,8-9,11-14,18H2,1-3H3.
What are the key properties of 8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile?
8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile has a molecular weight of 480.62 g/mol, XLogP of 4.65, 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)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile is sourced from PubChem (CID 167120479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).