6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide

C24H17N5O3 — CID 118331335

IUPAC6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide
SMILESNc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5cccc([N+](=O)[O-])c5)cccc4c3)c12
InChIInChI=1S/C24H17N5O3/c25-23-22-19(7-3-9-21(22)27-28-23)15-10-11-18-14(12-15)4-1-8-20(18)24(30)26-16-5-2-6-17(13-16)29(31)32/h1-13H,(H,26,30)(H3,25,27,28)
InChIKeyOZORZWHPVSHGMH-UHFFFAOYSA-N
MW423.43 g/mol
LogP5.13
Rot. Bonds4

About 6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide

6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide (PubChem CID 118331335) has the molecular formula C24H17N5O3 and a molecular weight of 423.43 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide
PubChem CID118331335
Molecular FormulaC24H17N5O3
Molecular Weight423.43 g/mol
Exact Mass423.13
IUPAC Name6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide
SMILESNc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5cccc([N+](=O)[O-])c5)cccc4c3)c12
InChIInChI=1S/C24H17N5O3/c25-23-22-19(7-3-9-21(22)27-28-23)15-10-11-18-14(12-15)4-1-8-20(18)24(30)26-16-5-2-6-17(13-16)29(31)32/h1-13H,(H,26,30)(H3,25,27,28)
InChIKeyOZORZWHPVSHGMH-UHFFFAOYSA-N
XLogP5.13
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.43
LogP ≤ 55.13
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'}

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Related Compounds

6-(3-amino-1H-indazol-4-yl)-N-(3-fluoro-4-methylphenyl)naphthalene-1-carboxamide
CID 90644667
6-(3-amino-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide
CID 118331347
3,5-dihydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 67849369
4-(1H-indol-5-yl)-1H-indazol-3-amine
CID 11288115
2-amino-3-fluoro-N-(3-nitrophenyl)benzamide
CID 62650434
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 122195167
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
4-amino-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 81235802
4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide
CID 170562674
2-(4-bromophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 5047594
3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide
CID 3120416
2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide?
The IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide (CID 118331335) is 6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide is Nc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5cccc([N+](=O)[O-])c5)cccc4c3)c12.
What is the InChIKey of 6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide?
The InChIKey is OZORZWHPVSHGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O3/c25-23-22-19(7-3-9-21(22)27-28-23)15-10-11-18-14(12-15)4-1-8-20(18)24(30)26-16-5-2-6-17(13-16)29(31)32/h1-13H,(H,26,30)(H3,25,27,28).
What are the key properties of 6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide?
6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide has a molecular weight of 423.43 g/mol, XLogP of 5.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 118331335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).