N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide

C13H19N3O — CID 81403939

IUPACN-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
SMILESC[C@H](NC(=O)CC1CCCN1)c1cccnc1
InChIInChI=1S/C13H19N3O/c1-10(11-4-2-6-14-9-11)16-13(17)8-12-5-3-7-15-12/h2,4,6,9-10,12,15H,3,5,7-8H2,1H3,(H,16,17)/t10-,12?/m0/s1
InChIKeyVKQXJCRLXJEFAN-NUHJPDEHSA-N
MW233.31 g/mol
LogP1.40
Rot. Bonds4

About N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide

N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 81403939) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID81403939
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
SMILESC[C@H](NC(=O)CC1CCCN1)c1cccnc1
InChIInChI=1S/C13H19N3O/c1-10(11-4-2-6-14-9-11)16-13(17)8-12-5-3-7-15-12/h2,4,6,9-10,12,15H,3,5,7-8H2,1H3,(H,16,17)/t10-,12?/m0/s1
InChIKeyVKQXJCRLXJEFAN-NUHJPDEHSA-N
XLogP1.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81404911
N-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119897485
N-[1-(4-phenylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119685566
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899
N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 66195074
2-(cyclopentylamino)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 81404213
3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571
3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404285
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119852182
2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 61366605
(2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119998811
2-pyrrolidin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 61364244

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide (CID 81403939) is N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide is C[C@H](NC(=O)CC1CCCN1)c1cccnc1.
What is the InChIKey of N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is VKQXJCRLXJEFAN-NUHJPDEHSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(11-4-2-6-14-9-11)16-13(17)8-12-5-3-7-15-12/h2,4,6,9-10,12,15H,3,5,7-8H2,1H3,(H,16,17)/t10-,12?/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide?
N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 233.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 81403939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).