8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

C24H24N4O — CID 170792027

IUPAC8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCn1c(=O)cc(N(CC2CC2)c2ccc(C3CCC3)cc2)c2nc(C#N)ccc21
InChIInChI=1S/C24H24N4O/c1-27-21-12-9-19(14-25)26-24(21)22(13-23(27)29)28(15-16-5-6-16)20-10-7-18(8-11-20)17-3-2-4-17/h7-13,16-17H,2-6,15H2,1H3
InChIKeyNZLGYVDDHVUHIV-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.62
Rot. Bonds5

About 8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 170792027) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
PubChem CID170792027
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCn1c(=O)cc(N(CC2CC2)c2ccc(C3CCC3)cc2)c2nc(C#N)ccc21
InChIInChI=1S/C24H24N4O/c1-27-21-12-9-19(14-25)26-24(21)22(13-23(27)29)28(15-16-5-6-16)20-10-7-18(8-11-20)17-3-2-4-17/h7-13,16-17H,2-6,15H2,1H3
InChIKeyNZLGYVDDHVUHIV-UHFFFAOYSA-N
XLogP4.62
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The IUPAC name of 8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 170792027) is 8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.
What is the SMILES notation for 8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The canonical SMILES for 8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is Cn1c(=O)cc(N(CC2CC2)c2ccc(C3CCC3)cc2)c2nc(C#N)ccc21.
What is the InChIKey of 8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The InChIKey is NZLGYVDDHVUHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-27-21-12-9-19(14-25)26-24(21)22(13-23(27)29)28(15-16-5-6-16)20-10-7-18(8-11-20)17-3-2-4-17/h7-13,16-17H,2-6,15H2,1H3.
What are the key properties of 8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 384.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 170792027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).