5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide

C17H23N3O — CID 63117889

IUPAC5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide
SMILESCC1CCCC(NC(=O)c2cc3cc(N)ccc3[nH]2)C1C
InChIInChI=1S/C17H23N3O/c1-10-4-3-5-14(11(10)2)20-17(21)16-9-12-8-13(18)6-7-15(12)19-16/h6-11,14,19H,3-5,18H2,1-2H3,(H,20,21)
InChIKeyGADWANQFDSYXHR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.30
Rot. Bonds2

About 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide

5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide (PubChem CID 63117889) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide
PubChem CID63117889
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide
SMILESCC1CCCC(NC(=O)c2cc3cc(N)ccc3[nH]2)C1C
InChIInChI=1S/C17H23N3O/c1-10-4-3-5-14(11(10)2)20-17(21)16-9-12-8-13(18)6-7-15(12)19-16/h6-11,14,19H,3-5,18H2,1-2H3,(H,20,21)
InChIKeyGADWANQFDSYXHR-UHFFFAOYSA-N
XLogP3.30
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide
CID 11897305
5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 63118181
5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide
CID 60905479
5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 63118303
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871
(5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 63118334
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 11906029
4,5-dimethyl-N-(2-methylcyclopentyl)-1H-indole-2-carboxamide
CID 86963857
5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70215186
5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide
CID 63277574

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide (CID 63117889) is 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide is CC1CCCC(NC(=O)c2cc3cc(N)ccc3[nH]2)C1C.
What is the InChIKey of 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide?
The InChIKey is GADWANQFDSYXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-10-4-3-5-14(11(10)2)20-17(21)16-9-12-8-13(18)6-7-15(12)19-16/h6-11,14,19H,3-5,18H2,1-2H3,(H,20,21).
What are the key properties of 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide?
5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63117889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).