N-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide

C18H12N4O4 — CID 89298247

IUPACN-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide
SMILESO=Cc1cc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc2[nH]1
InChIInChI=1S/C18H12N4O4/c23-9-13-6-10-5-12(1-3-15(10)19-13)20-18(24)17-8-11-7-14(22(25)26)2-4-16(11)21-17/h1-9,19,21H,(H,20,24)
InChIKeyHJPGLZRZNZEYFU-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.62
Rot. Bonds4

About N-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide

N-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide (PubChem CID 89298247) has the molecular formula C18H12N4O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is N-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide
PubChem CID89298247
Molecular FormulaC18H12N4O4
Molecular Weight348.32 g/mol
Exact Mass348.09
IUPAC NameN-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide
SMILESO=Cc1cc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc2[nH]1
InChIInChI=1S/C18H12N4O4/c23-9-13-6-10-5-12(1-3-15(10)19-13)20-18(24)17-8-11-7-14(22(25)26)2-4-16(11)21-17/h1-9,19,21H,(H,20,24)
InChIKeyHJPGLZRZNZEYFU-UHFFFAOYSA-N
XLogP3.62
TPSA120.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-morpholin-4-ylphenyl)-5-nitro-1H-indole-2-carboxamide
CID 127051385
N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-nitro-1H-indole-2-carboxamide
CID 127051118
ethane;2-methoxy-2-methylpropane;5-nitro-1H-indole-2-carbaldehyde
CID 144901527
N-[3-(2-amino-1H-imidazol-3-ium-5-yl)phenyl]-5-nitro-1H-indole-2-carboxamide chloride
CID 90675958
methyl 2-[(5-nitro-1H-indole-2-carbonyl)amino]benzoate
CID 162668769
N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide
CID 166221435
N-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide
CID 22105402
N-[1-[(4-bromophenyl)carbamoyl]piperidin-4-yl]-5-nitro-1H-indole-2-carboxamide
CID 155968894
N-[2-(4-methoxyphenyl)ethyl]-5-nitro-1H-indole-2-carboxamide
CID 127051943
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide
CID 18931505
5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
CID 59365027

Frequently Asked Questions

What is the IUPAC name of N-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide?
The IUPAC name of N-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide (CID 89298247) is N-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide is O=Cc1cc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc2[nH]1.
What is the InChIKey of N-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide?
The InChIKey is HJPGLZRZNZEYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O4/c23-9-13-6-10-5-12(1-3-15(10)19-13)20-18(24)17-8-11-7-14(22(25)26)2-4-16(11)21-17/h1-9,19,21H,(H,20,24).
What are the key properties of N-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide?
N-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide has a molecular weight of 348.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide is sourced from PubChem (CID 89298247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).