2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide

C16H20N2O — CID 115766234

IUPAC2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NC3(C)CCC3)cc2c1C
InChIInChI=1S/C16H20N2O/c1-10-11(2)17-14-6-5-12(9-13(10)14)15(19)18-16(3)7-4-8-16/h5-6,9,17H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyYVUJLYOQVYNDIE-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.46
Rot. Bonds2

About 2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide

2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide (PubChem CID 115766234) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
PubChem CID115766234
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NC3(C)CCC3)cc2c1C
InChIInChI=1S/C16H20N2O/c1-10-11(2)17-14-6-5-12(9-13(10)14)15(19)18-16(3)7-4-8-16/h5-6,9,17H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyYVUJLYOQVYNDIE-UHFFFAOYSA-N
XLogP3.46
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 75451316
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide
CID 107271669
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43002218
4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-2-methylbutanoic acid
CID 80537291
2,3-dimethyl-N-[1-(3-propan-2-ylphenyl)cyclopropyl]-1H-indole-5-carboxamide
CID 71113046
N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 60732092
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 61409406
2-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-3-methylbutanoic acid
CID 43109582

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide (CID 115766234) is 2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NC3(C)CCC3)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide?
The InChIKey is YVUJLYOQVYNDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-11(2)17-14-6-5-12(9-13(10)14)15(19)18-16(3)7-4-8-16/h5-6,9,17H,4,7-8H2,1-3H3,(H,18,19).
What are the key properties of 2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide?
2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 115766234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).