N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide

C16H21N3O — CID 78975173

IUPACN-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide
SMILESCC(CNC(=O)c1ccc2cc[nH]c2c1)N1CCCC1
InChIInChI=1S/C16H21N3O/c1-12(19-8-2-3-9-19)11-18-16(20)14-5-4-13-6-7-17-15(13)10-14/h4-7,10,12,17H,2-3,8-9,11H2,1H3,(H,18,20)
InChIKeyOXSSIRHQYVKOGW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.38
Rot. Bonds4

About N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide

N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide (PubChem CID 78975173) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide
PubChem CID78975173
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide
SMILESCC(CNC(=O)c1ccc2cc[nH]c2c1)N1CCCC1
InChIInChI=1S/C16H21N3O/c1-12(19-8-2-3-9-19)11-18-16(20)14-5-4-13-6-7-17-15(13)10-14/h4-7,10,12,17H,2-3,8-9,11H2,1H3,(H,18,20)
InChIKeyOXSSIRHQYVKOGW-UHFFFAOYSA-N
XLogP2.38
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide
CID 102907607
N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide
CID 113336626
N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide
CID 47432269
N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide
CID 39704482
N-(2-pyrrolidin-1-ylpropyl)-1H-indole-7-carboxamide
CID 79035908
3-phenyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502353
3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 51710424
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide
CID 61140955

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide (CID 78975173) is N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide is CC(CNC(=O)c1ccc2cc[nH]c2c1)N1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide?
The InChIKey is OXSSIRHQYVKOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(19-8-2-3-9-19)11-18-16(20)14-5-4-13-6-7-17-15(13)10-14/h4-7,10,12,17H,2-3,8-9,11H2,1H3,(H,18,20).
What are the key properties of N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide?
N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 78975173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).