3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide

C13H16ClN3O2 — CID 113246489

IUPAC3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1Cl)C(=O)N1CCCC1
InChIInChI=1S/C13H16ClN3O2/c1-9(13(19)17-6-2-3-7-17)16-12(18)10-4-5-15-8-11(10)14/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyONBWVBDQOUSFNZ-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.48
Rot. Bonds3

About 3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide

3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 113246489) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
PubChem CID113246489
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1Cl)C(=O)N1CCCC1
InChIInChI=1S/C13H16ClN3O2/c1-9(13(19)17-6-2-3-7-17)16-12(18)10-4-5-15-8-11(10)14/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyONBWVBDQOUSFNZ-UHFFFAOYSA-N
XLogP1.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide
CID 115667153
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 9254602
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 66484526
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 112695851
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135183
2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 110878743
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide
CID 119418007

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide (CID 113246489) is 3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide is CC(NC(=O)c1ccncc1Cl)C(=O)N1CCCC1.
What is the InChIKey of 3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is ONBWVBDQOUSFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-9(13(19)17-6-2-3-7-17)16-12(18)10-4-5-15-8-11(10)14/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,18).
What are the key properties of 3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide?
3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 113246489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).