2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide

C17H13N3O5 — CID 19573970

IUPAC2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C17H13N3O5/c1-24-13-5-2-11(3-6-13)19-17(21)14-9-10-8-12(20(22)23)4-7-15(10)25-16(14)18/h2-9,18H,1H3,(H,19,21)/b18-16-
InChIKeyKLOYJFWFSUHKSS-VLGSPTGOSA-N
MW339.31 g/mol
LogP3.08
Rot. Bonds4

About 2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide

2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide (PubChem CID 19573970) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is 2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide.

Molecular Properties

Compound Name2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide
PubChem CID19573970
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C17H13N3O5/c1-24-13-5-2-11(3-6-13)19-17(21)14-9-10-8-12(20(22)23)4-7-15(10)25-16(14)18/h2-9,18H,1H3,(H,19,21)/b18-16-
InChIKeyKLOYJFWFSUHKSS-VLGSPTGOSA-N
XLogP3.08
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide 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-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 3245498
N-(4-acetylphenyl)-2-imino-6-nitrochromene-3-carboxamide
CID 19574015
N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide
CID 3954525
2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide
CID 4276831
1-(2-imino-6-nitrochromen-3-yl)-2,2-dimethylpropan-1-one
CID 19288930
N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide
CID 23770327
N-(3-cyanothiophen-2-yl)-2-imino-6-nitrochromene-3-carboxamide
CID 19289075
ethyl 2-[(2-imino-6-nitrochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 17379742
2-imino-6-nitrochromene-3-carbothioamide
CID 5365432
2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 60619486
N-(2,4-dinitrophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 21205557
N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
CID 4296283

Frequently Asked Questions

What is the IUPAC name of 2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide?
The IUPAC name of 2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide (CID 19573970) is 2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide.
What is the SMILES notation for 2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide?
The canonical SMILES for 2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide is [H]/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide?
The InChIKey is KLOYJFWFSUHKSS-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H13N3O5/c1-24-13-5-2-11(3-6-13)19-17(21)14-9-10-8-12(20(22)23)4-7-15(10)25-16(14)18/h2-9,18H,1H3,(H,19,21)/b18-16-.
What are the key properties of 2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide?
2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide has a molecular weight of 339.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide is sourced from PubChem (CID 19573970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).