N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide

C19H25N3O — CID 167818595

IUPACN-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide
SMILESO=C(NC1CCN(C2CCCCC2)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H25N3O/c23-19(17-12-20-18-9-5-4-8-16(17)18)21-14-10-11-22(13-14)15-6-2-1-3-7-15/h4-5,8-9,12,14-15,20H,1-3,6-7,10-11,13H2,(H,21,23)
InChIKeyIJMPIVJRXTWRAD-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.30
Rot. Bonds3

About N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide

N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide (PubChem CID 167818595) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide
PubChem CID167818595
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide
SMILESO=C(NC1CCN(C2CCCCC2)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H25N3O/c23-19(17-12-20-18-9-5-4-8-16(17)18)21-14-10-11-22(13-14)15-6-2-1-3-7-15/h4-5,8-9,12,14-15,20H,1-3,6-7,10-11,13H2,(H,21,23)
InChIKeyIJMPIVJRXTWRAD-UHFFFAOYSA-N
XLogP3.30
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide
CID 122245618
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94694746
N-(1-pyridin-2-ylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 90621383
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide
CID 42512291
N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120
N-(4-aminocyclohexyl)-1H-indole-3-carboxamide
CID 62321120
N-(1-cyclohexylethyl)-1H-indole-3-carboxamide
CID 62405126
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide
CID 121144787
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide
CID 61230821
cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320270
N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide
CID 121021872
N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide
CID 52860014

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide?
The IUPAC name of N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide (CID 167818595) is N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide is O=C(NC1CCN(C2CCCCC2)C1)c1c[nH]c2ccccc12.
What is the InChIKey of N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide?
The InChIKey is IJMPIVJRXTWRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c23-19(17-12-20-18-9-5-4-8-16(17)18)21-14-10-11-22(13-14)15-6-2-1-3-7-15/h4-5,8-9,12,14-15,20H,1-3,6-7,10-11,13H2,(H,21,23).
What are the key properties of N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide?
N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 167818595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).