N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide

C16H21N3O2 — CID 106612620

IUPACN-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide
SMILESO=C(c1c[nH]c2ccccc12)N(CCO)CC1CCCN1
InChIInChI=1S/C16H21N3O2/c20-9-8-19(11-12-4-3-7-17-12)16(21)14-10-18-15-6-2-1-5-13(14)15/h1-2,5-6,10,12,17-18,20H,3-4,7-9,11H2
InChIKeyFBNBZLZUBWRAPM-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.35
Rot. Bonds5

About N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide

N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide (PubChem CID 106612620) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide
PubChem CID106612620
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide
SMILESO=C(c1c[nH]c2ccccc12)N(CCO)CC1CCCN1
InChIInChI=1S/C16H21N3O2/c20-9-8-19(11-12-4-3-7-17-12)16(21)14-10-18-15-6-2-1-5-13(14)15/h1-2,5-6,10,12,17-18,20H,3-4,7-9,11H2
InChIKeyFBNBZLZUBWRAPM-UHFFFAOYSA-N
XLogP1.35
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 106612562
N-(2-hydroxyethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612911
1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone
CID 116916989
2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107732251
N-(2-hydroxyethyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide
CID 106613006
2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612857
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612493
N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612681
3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106613059
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106610741
N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612084

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide (CID 106612620) is N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide is O=C(c1c[nH]c2ccccc12)N(CCO)CC1CCCN1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide?
The InChIKey is FBNBZLZUBWRAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-9-8-19(11-12-4-3-7-17-12)16(21)14-10-18-15-6-2-1-5-13(14)15/h1-2,5-6,10,12,17-18,20H,3-4,7-9,11H2.
What are the key properties of N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide?
N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 106612620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).