2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine

C16H14N4O2 — CID 19258585

IUPAC2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine
SMILESCc1ccc2c(Nc3cccc([N+](=O)[O-])c3)cc(C)nc2n1
InChIInChI=1S/C16H14N4O2/c1-10-6-7-14-15(8-11(2)18-16(14)17-10)19-12-4-3-5-13(9-12)20(21)22/h3-9H,1-2H3,(H,17,18,19)
InChIKeyBTDPYEOFIDVAKW-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.90
Rot. Bonds3

About 2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine

2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine (PubChem CID 19258585) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine
PubChem CID19258585
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine
SMILESCc1ccc2c(Nc3cccc([N+](=O)[O-])c3)cc(C)nc2n1
InChIInChI=1S/C16H14N4O2/c1-10-6-7-14-15(8-11(2)18-16(14)17-10)19-12-4-3-5-13(9-12)20(21)22/h3-9H,1-2H3,(H,17,18,19)
InChIKeyBTDPYEOFIDVAKW-UHFFFAOYSA-N
XLogP3.90
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine
CID 19258540
N-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine
CID 19258582
2-(3,5-dimethylpyrazol-1-yl)-6-methyl-N-(3-nitrophenyl)pyrimidin-4-amine
CID 8668786
4-(3-nitroanilino)quinolin-7-ol
CID 137246319
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
2-methyl-5-nitro-N-phenylquinolin-6-amine
CID 10107642
2-N-tert-butyl-6-hydrazinyl-4-N-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
CID 4022449
hydrazine;bis((3-nitrophenyl)hydrazine);hydrate
CID 158997537
3-nitro-N-[4-(trifluoromethyl)phenyl]aniline
CID 142848101
CID 58015538
CID 58015538
6-ethoxy-2-methyl-N-(3-nitrophenyl)quinolin-1-ium-4-amine chloride
CID 44660045
3-[4-methyl-2-(3-nitroanilino)-1,3-thiazol-5-yl]propanoic acid
CID 94777040

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine?
The IUPAC name of 2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine (CID 19258585) is 2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine.
What is the SMILES notation for 2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine?
The canonical SMILES for 2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine is Cc1ccc2c(Nc3cccc([N+](=O)[O-])c3)cc(C)nc2n1.
What is the InChIKey of 2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine?
The InChIKey is BTDPYEOFIDVAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-6-7-14-15(8-11(2)18-16(14)17-10)19-12-4-3-5-13(9-12)20(21)22/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine?
2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine has a molecular weight of 294.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine is sourced from PubChem (CID 19258585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).