3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide

C14H21N3O — CID 81404117

IUPAC3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N[C@@H](C)c2cccnc2)CCNC1
InChIInChI=1S/C14H21N3O/c1-3-14(6-8-16-10-14)13(18)17-11(2)12-5-4-7-15-9-12/h4-5,7,9,11,16H,3,6,8,10H2,1-2H3,(H,17,18)/t11-,14?/m0/s1
InChIKeyGRFIFTXCOPUKFV-ZSOXZCCMSA-N
MW247.34 g/mol
LogP1.65
Rot. Bonds4

About 3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide

3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide (PubChem CID 81404117) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide
PubChem CID81404117
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N[C@@H](C)c2cccnc2)CCNC1
InChIInChI=1S/C14H21N3O/c1-3-14(6-8-16-10-14)13(18)17-11(2)12-5-4-7-15-9-12/h4-5,7,9,11,16H,3,6,8,10H2,1-2H3,(H,17,18)/t11-,14?/m0/s1
InChIKeyGRFIFTXCOPUKFV-ZSOXZCCMSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 63127602
3-ethyl-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 63130581
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
N-[(1R)-1-pyridin-3-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81404390
1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide
CID 115453576
3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81365899
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852
2-ethyl-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 83080528
N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139806
3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81409107
N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139495
3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 63141842

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide (CID 81404117) is 3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide is CCC1(C(=O)N[C@@H](C)c2cccnc2)CCNC1.
What is the InChIKey of 3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide?
The InChIKey is GRFIFTXCOPUKFV-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-14(6-8-16-10-14)13(18)17-11(2)12-5-4-7-15-9-12/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 3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide?
3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 81404117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).