4-ethyl-N-phenyl-3-pyrrolidin-1-ylpyridine-2-carboxamide

C18H21N3O — CID 66821605

IUPAC4-ethyl-N-phenyl-3-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)Nc2ccccc2)c1N1CCCC1
InChIInChI=1S/C18H21N3O/c1-2-14-10-11-19-16(17(14)21-12-6-7-13-21)18(22)20-15-8-4-3-5-9-15/h3-5,8-11H,2,6-7,12-13H2,1H3,(H,20,22)
InChIKeyRQWMVUHEFWPLRS-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.50
Rot. Bonds4

About 4-ethyl-N-phenyl-3-pyrrolidin-1-ylpyridine-2-carboxamide

4-ethyl-N-phenyl-3-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 66821605) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-ethyl-N-phenyl-3-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-phenyl-3-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID66821605
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4-ethyl-N-phenyl-3-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)Nc2ccccc2)c1N1CCCC1
InChIInChI=1S/C18H21N3O/c1-2-14-10-11-19-16(17(14)21-12-6-7-13-21)18(22)20-15-8-4-3-5-9-15/h3-5,8-11H,2,6-7,12-13H2,1H3,(H,20,22)
InChIKeyRQWMVUHEFWPLRS-UHFFFAOYSA-N
XLogP3.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide
CID 122298631
3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 62490450
3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide
CID 10466316
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 107518403
N-phenyl-2-pyrrolidin-1-ylbenzamide
CID 168515905
4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109218647
5-ethyl-N,1-diphenyltriazole-4-carboxamide
CID 15944220
3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 42393792
4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109220342
1-(2,6-diethylphenyl)piperidine
CID 10608826
N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215237

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-phenyl-3-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of 4-ethyl-N-phenyl-3-pyrrolidin-1-ylpyridine-2-carboxamide (CID 66821605) is 4-ethyl-N-phenyl-3-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-phenyl-3-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-phenyl-3-pyrrolidin-1-ylpyridine-2-carboxamide is CCc1ccnc(C(=O)Nc2ccccc2)c1N1CCCC1.
What is the InChIKey of 4-ethyl-N-phenyl-3-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is RQWMVUHEFWPLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-14-10-11-19-16(17(14)21-12-6-7-13-21)18(22)20-15-8-4-3-5-9-15/h3-5,8-11H,2,6-7,12-13H2,1H3,(H,20,22).
What are the key properties of 4-ethyl-N-phenyl-3-pyrrolidin-1-ylpyridine-2-carboxamide?
4-ethyl-N-phenyl-3-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-phenyl-3-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 66821605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).