N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide

C17H21N3O — CID 71856468

IUPACN-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1ccc[nH]1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C17H21N3O/c1-13(19-17(21)16-8-5-9-18-16)14-6-4-7-15(12-14)20-10-2-3-11-20/h4-9,12-13,18H,2-3,10-11H2,1H3,(H,19,21)
InChIKeyNJOHQPBFQSPEGR-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.11
Rot. Bonds4

About N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide

N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 71856468) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID71856468
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1ccc[nH]1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C17H21N3O/c1-13(19-17(21)16-8-5-9-18-16)14-6-4-7-15(12-14)20-10-2-3-11-20/h4-9,12-13,18H,2-3,10-11H2,1H3,(H,19,21)
InChIKeyNJOHQPBFQSPEGR-UHFFFAOYSA-N
XLogP3.11
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 97053477
1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide
CID 166234095
2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride
CID 119947462
5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 71972332
1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 136902519
1-(4-hydroxycyclohexyl)-3-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
CID 97050637
(2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119900377
1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900394
4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 166253184
(1S,4S)-N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 129378513
2-methyl-3-[methyl-[1-(3-pyrrolidin-1-ylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 122005980
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 71972333

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide (CID 71856468) is N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide is CC(NC(=O)c1ccc[nH]1)c1cccc(N2CCCC2)c1.
What is the InChIKey of N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is NJOHQPBFQSPEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(19-17(21)16-8-5-9-18-16)14-6-4-7-15(12-14)20-10-2-3-11-20/h4-9,12-13,18H,2-3,10-11H2,1H3,(H,19,21).
What are the key properties of N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide?
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71856468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).