N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide

C18H21N3O — CID 47027276

IUPACN-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN1CCc1ccccn1
InChIInChI=1S/C18H21N3O/c22-18(20-16-8-2-1-3-9-16)17-10-6-13-21(17)14-11-15-7-4-5-12-19-15/h1-5,7-9,12,17H,6,10-11,13-14H2,(H,20,22)
InChIKeyXGIPVSCGMKIUIU-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.73
Rot. Bonds5

About N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide

N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 47027276) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
PubChem CID47027276
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN1CCc1ccccn1
InChIInChI=1S/C18H21N3O/c22-18(20-16-8-2-1-3-9-16)17-10-6-13-21(17)14-11-15-7-4-5-12-19-15/h1-5,7-9,12,17H,6,10-11,13-14H2,(H,20,22)
InChIKeyXGIPVSCGMKIUIU-UHFFFAOYSA-N
XLogP2.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
CID 94335033
1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone
CID 63845672
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
1-[(2R)-2-[(2S)-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95613097
3-[[(2S)-1-propylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 129407602
1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 42948760
(2S)-N-(6-phenoxy-3-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 42518595
1-N-phenyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 51250780
1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 118634244
2-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339128
1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde
CID 62656596
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide (CID 47027276) is N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1)C1CCCN1CCc1ccccn1.
What is the InChIKey of N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is XGIPVSCGMKIUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(20-16-8-2-1-3-9-16)17-10-6-13-21(17)14-11-15-7-4-5-12-19-15/h1-5,7-9,12,17H,6,10-11,13-14H2,(H,20,22).
What are the key properties of N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47027276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).