5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide

C16H21N3O — CID 107416305

IUPAC5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide
SMILESCC1CCCC1CNC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C16H21N3O/c1-10-3-2-4-11(10)8-19-16(20)14-9-18-15-6-5-12(17)7-13(14)15/h5-7,9-11,18H,2-4,8,17H2,1H3,(H,19,20)
InChIKeyYLIHCJAQQKHFBG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.92
Rot. Bonds3

About 5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide

5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide (PubChem CID 107416305) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide
PubChem CID107416305
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide
SMILESCC1CCCC1CNC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C16H21N3O/c1-10-3-2-4-11(10)8-19-16(20)14-9-18-15-6-5-12(17)7-13(14)15/h5-7,9-11,18H,2-4,8,17H2,1H3,(H,19,20)
InChIKeyYLIHCJAQQKHFBG-UHFFFAOYSA-N
XLogP2.92
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.92
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

5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116494
5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide
CID 63116899
5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide
CID 63116756
N-[(2-methylcyclopentyl)methyl]-1H-indole-4-carboxamide
CID 107420261
2-(1H-indol-3-yl)-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107420241
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
CID 107211254
5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide
CID 107316240
5-amino-N-pent-4-enyl-1H-indole-3-carboxamide
CID 114264539
5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
CID 63116906
5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide
CID 63116925
5-amino-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-4-carboxamide
CID 107420177
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107419522

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide (CID 107416305) is 5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide is CC1CCCC1CNC(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide?
The InChIKey is YLIHCJAQQKHFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-3-2-4-11(10)8-19-16(20)14-9-18-15-6-5-12(17)7-13(14)15/h5-7,9-11,18H,2-4,8,17H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide?
5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 107416305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).