4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine

C15H12N6O4 — CID 15448619

IUPAC4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine
SMILESCNc1c([N+](=O)[O-])c(Nc2ccccc2)nc2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C15H12N6O4/c1-16-12-11-7-10(20(22)23)8-17-14(11)19-15(13(12)21(24)25)18-9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,17,18,19)
InChIKeyKJDCTVQRMAOPNG-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.23
Rot. Bonds5

About 4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine

4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine (PubChem CID 15448619) has the molecular formula C15H12N6O4 and a molecular weight of 340.30 g/mol. Its IUPAC name is 4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine
PubChem CID15448619
Molecular FormulaC15H12N6O4
Molecular Weight340.30 g/mol
Exact Mass340.09
IUPAC Name4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine
SMILESCNc1c([N+](=O)[O-])c(Nc2ccccc2)nc2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C15H12N6O4/c1-16-12-11-7-10(20(22)23)8-17-14(11)19-15(13(12)21(24)25)18-9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,17,18,19)
InChIKeyKJDCTVQRMAOPNG-UHFFFAOYSA-N
XLogP3.23
TPSA136.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine 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

2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine
CID 15448616
4-N-(2-methoxy-5-methylphenyl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine
CID 23480394
4-N-(4-methylphenyl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine
CID 22531784
4-N-(2,5-dimethylphenyl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine
CID 23485707
5-fluoro-2-N-(2-methoxy-5-nitrophenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 71014659
3-N-(3-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 55081029
4-N-(5-chloro-2-methoxyphenyl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine
CID 23484648
2-N-(4-nitrophenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 71593523
1-[4-[(4-anilino-6-methyl-5-nitropyrimidin-2-yl)amino]phenyl]ethanone
CID 3387351
2-N-(2,5-dimethoxyphenyl)-5-nitro-4-N-phenylpyrimidine-2,4,6-triamine
CID 3959628
methyl 6-anilino-2-chloro-5-nitropyrimidine-4-carboxylate
CID 57474557
N-(4-tert-butylphenyl)-3,5-dinitropyridin-2-amine
CID 87349158

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine?
The IUPAC name of 4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine (CID 15448619) is 4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine?
The canonical SMILES for 4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine is CNc1c([N+](=O)[O-])c(Nc2ccccc2)nc2ncc([N+](=O)[O-])cc12.
What is the InChIKey of 4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine?
The InChIKey is KJDCTVQRMAOPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O4/c1-16-12-11-7-10(20(22)23)8-17-14(11)19-15(13(12)21(24)25)18-9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine?
4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine has a molecular weight of 340.30 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine is sourced from PubChem (CID 15448619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).