2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide

C14H21N3O — CID 83073993

IUPAC2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N[C@@H](C)c2ccccn2)CCCN1
InChIInChI=1S/C14H21N3O/c1-3-14(8-6-10-16-14)13(18)17-11(2)12-7-4-5-9-15-12/h4-5,7,9,11,16H,3,6,8,10H2,1-2H3,(H,17,18)/t11-,14?/m0/s1
InChIKeyMKDNHZLNXVBGNE-ZSOXZCCMSA-N
MW247.34 g/mol
LogP1.79
Rot. Bonds4

About 2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide

2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide (PubChem CID 83073993) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide
PubChem CID83073993
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N[C@@H](C)c2ccccn2)CCCN1
InChIInChI=1S/C14H21N3O/c1-3-14(8-6-10-16-14)13(18)17-11(2)12-7-4-5-9-15-12/h4-5,7,9,11,16H,3,6,8,10H2,1-2H3,(H,17,18)/t11-,14?/m0/s1
InChIKeyMKDNHZLNXVBGNE-ZSOXZCCMSA-N
XLogP1.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407453
1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide
CID 81179767
(2R)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 104901997
2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 83071948
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 83080607
N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 83072179
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 61463136
N-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974513
N-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81406521
2-(1-aminocyclopentyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 64686366
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 80597057

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide (CID 83073993) is 2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide is CCC1(C(=O)N[C@@H](C)c2ccccn2)CCCN1.
What is the InChIKey of 2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide?
The InChIKey is MKDNHZLNXVBGNE-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-14(8-6-10-16-14)13(18)17-11(2)12-7-4-5-9-15-12/h4-5,7,9,11,16H,3,6,8,10H2,1-2H3,(H,17,18)/t11-,14?/m0/s1.
What are the key properties of 2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide?
2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 83073993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).