N-cyclopropyl-1,4-dimethylindole-2-carboxamide

C14H16N2O — CID 110847973

IUPACN-cyclopropyl-1,4-dimethylindole-2-carboxamide
SMILESCc1cccc2c1cc(C(=O)NC1CC1)n2C
InChIInChI=1S/C14H16N2O/c1-9-4-3-5-12-11(9)8-13(16(12)2)14(17)15-10-6-7-10/h3-5,8,10H,6-7H2,1-2H3,(H,15,17)
InChIKeyHSSLGFYLQMBYIN-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.38
Rot. Bonds2

About N-cyclopropyl-1,4-dimethylindole-2-carboxamide

N-cyclopropyl-1,4-dimethylindole-2-carboxamide (PubChem CID 110847973) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-cyclopropyl-1,4-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1,4-dimethylindole-2-carboxamide
PubChem CID110847973
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-cyclopropyl-1,4-dimethylindole-2-carboxamide
SMILESCc1cccc2c1cc(C(=O)NC1CC1)n2C
InChIInChI=1S/C14H16N2O/c1-9-4-3-5-12-11(9)8-13(16(12)2)14(17)15-10-6-7-10/h3-5,8,10H,6-7H2,1-2H3,(H,15,17)
InChIKeyHSSLGFYLQMBYIN-UHFFFAOYSA-N
XLogP2.38
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-1,4-dimethylindole-2-carboxamide
CID 110833489
1-methyl-N-piperidin-4-ylindole-2-carboxamide
CID 110468893
1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide
CID 55911141
1,4-dimethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110849661
1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide
CID 99945532
1,4-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]indole-2-carboxamide
CID 77092346
4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 130408441
N-cyclopropyl-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
CID 46395663
1-methyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 142244434
1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110852155
4-chloro-N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1-methylindole-2-carboxamide
CID 121494335
N-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide
CID 110852739

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,4-dimethylindole-2-carboxamide?
The IUPAC name of N-cyclopropyl-1,4-dimethylindole-2-carboxamide (CID 110847973) is N-cyclopropyl-1,4-dimethylindole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1,4-dimethylindole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1,4-dimethylindole-2-carboxamide is Cc1cccc2c1cc(C(=O)NC1CC1)n2C.
What is the InChIKey of N-cyclopropyl-1,4-dimethylindole-2-carboxamide?
The InChIKey is HSSLGFYLQMBYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-4-3-5-12-11(9)8-13(16(12)2)14(17)15-10-6-7-10/h3-5,8,10H,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-cyclopropyl-1,4-dimethylindole-2-carboxamide?
N-cyclopropyl-1,4-dimethylindole-2-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,4-dimethylindole-2-carboxamide is sourced from PubChem (CID 110847973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).