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

C28H33N5O — CID 164539523

IUPAC8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCc1ccccc1N(CC1CC1)C1CCC(N(C)c2cc(=O)n(C)c3ccc(C#N)nc23)CC1
InChIInChI=1S/C28H33N5O/c1-19-6-4-5-7-24(19)33(18-20-8-9-20)23-13-11-22(12-14-23)31(2)26-16-27(34)32(3)25-15-10-21(17-29)30-28(25)26/h4-7,10,15-16,20,22-23H,8-9,11-14,18H2,1-3H3
InChIKeyUIHCXGWDKNRKKF-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.78
Rot. Bonds6

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

8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 164539523) has the molecular formula C28H33N5O and a molecular weight of 455.61 g/mol. Its IUPAC name is 8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
PubChem CID164539523
Molecular FormulaC28H33N5O
Molecular Weight455.61 g/mol
Exact Mass455.27
IUPAC Name8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCc1ccccc1N(CC1CC1)C1CCC(N(C)c2cc(=O)n(C)c3ccc(C#N)nc23)CC1
InChIInChI=1S/C28H33N5O/c1-19-6-4-5-7-24(19)33(18-20-8-9-20)23-13-11-22(12-14-23)31(2)26-16-27(34)32(3)25-15-10-21(17-29)30-28(25)26/h4-7,10,15-16,20,22-23H,8-9,11-14,18H2,1-3H3
InChIKeyUIHCXGWDKNRKKF-UHFFFAOYSA-N
XLogP4.78
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-carbonitrile?
The IUPAC name of 8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 164539523) is 8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.
What is the SMILES notation for 8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The canonical SMILES for 8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is Cc1ccccc1N(CC1CC1)C1CCC(N(C)c2cc(=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-carbonitrile?
The InChIKey is UIHCXGWDKNRKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O/c1-19-6-4-5-7-24(19)33(18-20-8-9-20)23-13-11-22(12-14-23)31(2)26-16-27(34)32(3)25-15-10-21(17-29)30-28(25)26/h4-7,10,15-16,20,22-23H,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-carbonitrile?
8-[[4-[N-(cyclopropylmethyl)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 455.61 g/mol, XLogP of 4.78, 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)-2-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 164539523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).