N-cyclohexyl-3-nitro-1H-indole-2-carboxamide

C15H17N3O3 — CID 10541273

IUPACN-cyclohexyl-3-nitro-1H-indole-2-carboxamide
SMILESO=C(NC1CCCCC1)c1[nH]c2ccccc2c1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O3/c19-15(16-10-6-2-1-3-7-10)13-14(18(20)21)11-8-4-5-9-12(11)17-13/h4-5,8-10,17H,1-3,6-7H2,(H,16,19)
InChIKeyRBYJTSXXWBVBQZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.14
Rot. Bonds3

About N-cyclohexyl-3-nitro-1H-indole-2-carboxamide

N-cyclohexyl-3-nitro-1H-indole-2-carboxamide (PubChem CID 10541273) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-cyclohexyl-3-nitro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-nitro-1H-indole-2-carboxamide
PubChem CID10541273
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-cyclohexyl-3-nitro-1H-indole-2-carboxamide
SMILESO=C(NC1CCCCC1)c1[nH]c2ccccc2c1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O3/c19-15(16-10-6-2-1-3-7-10)13-14(18(20)21)11-8-4-5-9-12(11)17-13/h4-5,8-10,17H,1-3,6-7H2,(H,16,19)
InChIKeyRBYJTSXXWBVBQZ-UHFFFAOYSA-N
XLogP3.14
TPSA88.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-benzyl-3-nitro-1H-indole-2-carboxamide
CID 10827690
N-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 53013364
N-cyclopropyl-3-methoxy-1H-indole-2-carboxamide
CID 166192754
3-amino-N-cyclohexyl-2-nitrobenzamide
CID 115548193
N-cyclopentyl-2-oxo-1H-quinazoline-4-carboxamide
CID 110702489
5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide
CID 69242372
N-cyclopentyl-3-methyl-2-nitrobenzamide
CID 890353
N-cyclododecyl-4-nitrobenzamide
CID 19168070
6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide
CID 146459814
N-cyclooctyl-3,5-dinitrobenzamide
CID 4130171
N-cyclohexyl-2,4,6-trihydroxy-3-nitrobenzamide
CID 5272628
N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide
CID 35375238

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-nitro-1H-indole-2-carboxamide?
The IUPAC name of N-cyclohexyl-3-nitro-1H-indole-2-carboxamide (CID 10541273) is N-cyclohexyl-3-nitro-1H-indole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-nitro-1H-indole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-3-nitro-1H-indole-2-carboxamide is O=C(NC1CCCCC1)c1[nH]c2ccccc2c1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-3-nitro-1H-indole-2-carboxamide?
The InChIKey is RBYJTSXXWBVBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-15(16-10-6-2-1-3-7-10)13-14(18(20)21)11-8-4-5-9-12(11)17-13/h4-5,8-10,17H,1-3,6-7H2,(H,16,19).
What are the key properties of N-cyclohexyl-3-nitro-1H-indole-2-carboxamide?
N-cyclohexyl-3-nitro-1H-indole-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-nitro-1H-indole-2-carboxamide is sourced from PubChem (CID 10541273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).