6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide

C17H18N4O3 — CID 146459814

IUPAC6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide
SMILESN#Cc1ccc2c([N+](=O)[O-])c(C(=O)NCC3CCCCC3)[nH]c2c1
InChIInChI=1S/C17H18N4O3/c18-9-12-6-7-13-14(8-12)20-15(16(13)21(23)24)17(22)19-10-11-4-2-1-3-5-11/h6-8,11,20H,1-5,10H2,(H,19,22)
InChIKeyJEUFTICAPGRTEB-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.26
Rot. Bonds4

About 6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide

6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide (PubChem CID 146459814) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide
PubChem CID146459814
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide
SMILESN#Cc1ccc2c([N+](=O)[O-])c(C(=O)NCC3CCCCC3)[nH]c2c1
InChIInChI=1S/C17H18N4O3/c18-9-12-6-7-13-14(8-12)20-15(16(13)21(23)24)17(22)19-10-11-4-2-1-3-5-11/h6-8,11,20H,1-5,10H2,(H,19,22)
InChIKeyJEUFTICAPGRTEB-UHFFFAOYSA-N
XLogP3.26
TPSA111.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
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

2-[1-(6-cyano-3-nitro-1H-indole-2-carbonyl)piperidin-4-yl]ethylcarbamic acid
CID 146460037
N-cyclohexyl-3-nitro-1H-indole-2-carboxamide
CID 10541273
2-amino-N-(cyclohexylmethyl)-5-nitrobenzamide
CID 62154778
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941
2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
CID 62403309
N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide
CID 17409199
2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide
CID 62061126
N-benzyl-3-nitro-1H-indole-2-carboxamide
CID 10827690
N-(cyclohexylmethyl)-6-nitro-2-oxochromene-3-carboxamide
CID 22299683
1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea
CID 46494092
5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide
CID 65461649
3-chloro-N-(cyclobutylmethyl)-2-nitrobenzamide
CID 79831189

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide?
The IUPAC name of 6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide (CID 146459814) is 6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide.
What is the SMILES notation for 6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide?
The canonical SMILES for 6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide is N#Cc1ccc2c([N+](=O)[O-])c(C(=O)NCC3CCCCC3)[nH]c2c1.
What is the InChIKey of 6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide?
The InChIKey is JEUFTICAPGRTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c18-9-12-6-7-13-14(8-12)20-15(16(13)21(23)24)17(22)19-10-11-4-2-1-3-5-11/h6-8,11,20H,1-5,10H2,(H,19,22).
What are the key properties of 6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide?
6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide is sourced from PubChem (CID 146459814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).