1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile

C18H17N5O — CID 143649694

IUPAC1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCc1ccc2c(N(C)C)c(C#N)c(=O)n(-c3ccc(N)cc3)c2n1
InChIInChI=1S/C18H17N5O/c1-11-4-9-14-16(22(2)3)15(10-19)18(24)23(17(14)21-11)13-7-5-12(20)6-8-13/h4-9H,20H2,1-3H3
InChIKeyNLXOZKGFPXFEOO-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.21
Rot. Bonds2

About 1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile

1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile (PubChem CID 143649694) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
PubChem CID143649694
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCc1ccc2c(N(C)C)c(C#N)c(=O)n(-c3ccc(N)cc3)c2n1
InChIInChI=1S/C18H17N5O/c1-11-4-9-14-16(22(2)3)15(10-19)18(24)23(17(14)21-11)13-7-5-12(20)6-8-13/h4-9H,20H2,1-3H3
InChIKeyNLXOZKGFPXFEOO-UHFFFAOYSA-N
XLogP2.21
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile (CID 143649694) is 1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile is Cc1ccc2c(N(C)C)c(C#N)c(=O)n(-c3ccc(N)cc3)c2n1.
What is the InChIKey of 1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The InChIKey is NLXOZKGFPXFEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-11-4-9-14-16(22(2)3)15(10-19)18(24)23(17(14)21-11)13-7-5-12(20)6-8-13/h4-9H,20H2,1-3H3.
What are the key properties of 1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile has a molecular weight of 319.37 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 143649694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).