4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide

C21H15N5O4 — CID 170562674

IUPAC4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c3c2)cc1
InChIInChI=1S/C21H15N5O4/c22-20(27)12-4-6-13(7-5-12)21(28)23-15-8-9-18-17(11-15)19(25-24-18)14-2-1-3-16(10-14)26(29)30/h1-11H,(H2,22,27)(H,23,28)(H,24,25)
InChIKeyXSUCGVUTXJFXAU-UHFFFAOYSA-N
MW401.38 g/mol
LogP3.49
Rot. Bonds5

About 4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide

4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide (PubChem CID 170562674) has the molecular formula C21H15N5O4 and a molecular weight of 401.38 g/mol. Its IUPAC name is 4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide
PubChem CID170562674
Molecular FormulaC21H15N5O4
Molecular Weight401.38 g/mol
Exact Mass401.11
IUPAC Name4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c3c2)cc1
InChIInChI=1S/C21H15N5O4/c22-20(27)12-4-6-13(7-5-12)21(28)23-15-8-9-18-17(11-15)19(25-24-18)14-2-1-3-16(10-14)26(29)30/h1-11H,(H2,22,27)(H,23,28)(H,24,25)
InChIKeyXSUCGVUTXJFXAU-UHFFFAOYSA-N
XLogP3.49
TPSA144.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 53.49
H-Bond Donors ≤ 53
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 4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide 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

4-N-(3-pyridin-3-yl-1H-indazol-5-yl)benzene-1,4-dicarboxamide
CID 170562682
N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
CID 110444896
3-[3-[(3,5-dichlorobenzoyl)amino]phenyl]-1H-indazole-5-carboxamide
CID 58863539
4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid
CID 22479735
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163937
2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid
CID 142112726
N-[4-(3-nitrophenyl)phenyl]benzamide
CID 173440643
N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide
CID 162666626
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]pyridine-4-carboxamide
CID 22479938

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide (CID 170562674) is 4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c3c2)cc1.
What is the InChIKey of 4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide?
The InChIKey is XSUCGVUTXJFXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O4/c22-20(27)12-4-6-13(7-5-12)21(28)23-15-8-9-18-17(11-15)19(25-24-18)14-2-1-3-16(10-14)26(29)30/h1-11H,(H2,22,27)(H,23,28)(H,24,25).
What are the key properties of 4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide?
4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide has a molecular weight of 401.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 170562674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).