(Z)-N-methyl-2-[6-(3-nitroanilino)-1,5-naphthyridin-3-yl]prop-1-ene-1,3-diamine

C18H18N6O2 — CID 144666964

IUPAC(Z)-N-methyl-2-[6-(3-nitroanilino)-1,5-naphthyridin-3-yl]prop-1-ene-1,3-diamine
SMILESCN/C=C(\CN)c1cnc2ccc(Nc3cccc([N+](=O)[O-])c3)nc2c1
InChIInChI=1S/C18H18N6O2/c1-20-10-13(9-19)12-7-17-16(21-11-12)5-6-18(23-17)22-14-3-2-4-15(8-14)24(25)26/h2-8,10-11,20H,9,19H2,1H3,(H,22,23)/b13-10+
InChIKeyVFKTUJVNYDSJMN-JLHYYAGUSA-N
MW350.38 g/mol
LogP2.80
Rot. Bonds6

About (Z)-N-methyl-2-[6-(3-nitroanilino)-1,5-naphthyridin-3-yl]prop-1-ene-1,3-diamine

(Z)-N-methyl-2-[6-(3-nitroanilino)-1,5-naphthyridin-3-yl]prop-1-ene-1,3-diamine (PubChem CID 144666964) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is (Z)-N-methyl-2-[6-(3-nitroanilino)-1,5-naphthyridin-3-yl]prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N-methyl-2-[6-(3-nitroanilino)-1,5-naphthyridin-3-yl]prop-1-ene-1,3-diamine
PubChem CID144666964
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name(Z)-N-methyl-2-[6-(3-nitroanilino)-1,5-naphthyridin-3-yl]prop-1-ene-1,3-diamine
SMILESCN/C=C(\CN)c1cnc2ccc(Nc3cccc([N+](=O)[O-])c3)nc2c1
InChIInChI=1S/C18H18N6O2/c1-20-10-13(9-19)12-7-17-16(21-11-12)5-6-18(23-17)22-14-3-2-4-15(8-14)24(25)26/h2-8,10-11,20H,9,19H2,1H3,(H,22,23)/b13-10+
InChIKeyVFKTUJVNYDSJMN-JLHYYAGUSA-N
XLogP2.80
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine
CID 90288925
N-methyl-7-nitroquinoxalin-2-amine
CID 119087544
2-chloro-N-(3-nitrophenyl)pyrimidin-4-amine
CID 46844785
N-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 90985313
3-[(5-nitro-2-pyridinyl)amino]benzoic acid
CID 2858481
3-nitro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
CID 17385385
ethane;methanol;N-methyl-3-nitroaniline
CID 144908950
ethyl 2-(3-nitroanilino)-3H-benzimidazole-5-carboxylate
CID 82563148
7-(1-amino-3-methyliminoprop-1-en-2-yl)-N-pyridin-3-yl-1,5-naphthyridin-2-amine
CID 144666582
2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide
CID 62143197
[2-(3-nitroanilino)-4-(propylamino)pyrimidin-5-yl]methanol
CID 174491507
3-[(5-nitropyrimidin-2-yl)amino]benzoic acid
CID 61147349

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-[6-(3-nitroanilino)-1,5-naphthyridin-3-yl]prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N-methyl-2-[6-(3-nitroanilino)-1,5-naphthyridin-3-yl]prop-1-ene-1,3-diamine (CID 144666964) is (Z)-N-methyl-2-[6-(3-nitroanilino)-1,5-naphthyridin-3-yl]prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N-methyl-2-[6-(3-nitroanilino)-1,5-naphthyridin-3-yl]prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N-methyl-2-[6-(3-nitroanilino)-1,5-naphthyridin-3-yl]prop-1-ene-1,3-diamine is CN/C=C(\CN)c1cnc2ccc(Nc3cccc([N+](=O)[O-])c3)nc2c1.
What is the InChIKey of (Z)-N-methyl-2-[6-(3-nitroanilino)-1,5-naphthyridin-3-yl]prop-1-ene-1,3-diamine?
The InChIKey is VFKTUJVNYDSJMN-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-20-10-13(9-19)12-7-17-16(21-11-12)5-6-18(23-17)22-14-3-2-4-15(8-14)24(25)26/h2-8,10-11,20H,9,19H2,1H3,(H,22,23)/b13-10+.
What are the key properties of (Z)-N-methyl-2-[6-(3-nitroanilino)-1,5-naphthyridin-3-yl]prop-1-ene-1,3-diamine?
(Z)-N-methyl-2-[6-(3-nitroanilino)-1,5-naphthyridin-3-yl]prop-1-ene-1,3-diamine has a molecular weight of 350.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-[6-(3-nitroanilino)-1,5-naphthyridin-3-yl]prop-1-ene-1,3-diamine is sourced from PubChem (CID 144666964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).