1-methyl-5-nitro-N-phenylindole-3-carboxamide

C16H13N3O3 — CID 19375024

IUPAC1-methyl-5-nitro-N-phenylindole-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H13N3O3/c1-18-10-14(16(20)17-11-5-3-2-4-6-11)13-9-12(19(21)22)7-8-15(13)18/h2-10H,1H3,(H,17,20)
InChIKeyIWKAWQODDKJEDX-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.34
Rot. Bonds3

About 1-methyl-5-nitro-N-phenylindole-3-carboxamide

1-methyl-5-nitro-N-phenylindole-3-carboxamide (PubChem CID 19375024) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-methyl-5-nitro-N-phenylindole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-nitro-N-phenylindole-3-carboxamide
PubChem CID19375024
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name1-methyl-5-nitro-N-phenylindole-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H13N3O3/c1-18-10-14(16(20)17-11-5-3-2-4-6-11)13-9-12(19(21)22)7-8-15(13)18/h2-10H,1H3,(H,17,20)
InChIKeyIWKAWQODDKJEDX-UHFFFAOYSA-N
XLogP3.34
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-methyl-N-phenylindole-3-carboxamide
CID 9038340
methyl 2-(1-methyl-5-nitroindol-3-yl)-2-oxoacetate
CID 10849035
1-(1-methyl-5-nitroindol-3-yl)-2-piperidin-1-ylethane-1,2-dione
CID 68608898
[2-(4-nitroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816265
1-(2-methoxy-4-nitrophenyl)-3-[(1-methylindole-3-carbonyl)amino]thiourea
CID 3836810
[1-(3-nitroanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 55385435
6-ethoxy-1-methyl-4-oxo-N-phenylquinoline-3-carboxamide
CID 30133870
2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide
CID 61041820
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide
CID 47068134
2,2,2-trifluoro-1-(1-methyl-6-nitroindol-3-yl)ethanone
CID 59335033
1-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-3-phenylurea
CID 118706462

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-nitro-N-phenylindole-3-carboxamide?
The IUPAC name of 1-methyl-5-nitro-N-phenylindole-3-carboxamide (CID 19375024) is 1-methyl-5-nitro-N-phenylindole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-nitro-N-phenylindole-3-carboxamide?
The canonical SMILES for 1-methyl-5-nitro-N-phenylindole-3-carboxamide is Cn1cc(C(=O)Nc2ccccc2)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1-methyl-5-nitro-N-phenylindole-3-carboxamide?
The InChIKey is IWKAWQODDKJEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-18-10-14(16(20)17-11-5-3-2-4-6-11)13-9-12(19(21)22)7-8-15(13)18/h2-10H,1H3,(H,17,20).
What are the key properties of 1-methyl-5-nitro-N-phenylindole-3-carboxamide?
1-methyl-5-nitro-N-phenylindole-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-nitro-N-phenylindole-3-carboxamide is sourced from PubChem (CID 19375024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).