6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

C12H14ClN3O2 — CID 46525121

IUPAC6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C12H14ClN3O2/c13-10-4-3-9(7-14-10)12(18)15-8-11(17)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8H2,(H,15,18)
InChIKeyDAAYYYLUHDUNJY-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.09
Rot. Bonds3

About 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 46525121) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID46525121
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C12H14ClN3O2/c13-10-4-3-9(7-14-10)12(18)15-8-11(17)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8H2,(H,15,18)
InChIKeyDAAYYYLUHDUNJY-UHFFFAOYSA-N
XLogP1.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide
CID 103803397
5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 115618777
4-(chloromethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 113405963
3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687673
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 119277149
N-[2-oxo-2-[4-[2-(pyridine-4-carbonylamino)acetyl]-1,4-diazepan-1-yl]ethyl]pyridine-4-carboxamide
CID 166219117
N-(2-oxo-2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 24539686
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
CID 103842424
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 112695851
3,4-dichloro-N-[2-oxo-2-(1,4-thiazepan-4-yl)ethyl]benzamide
CID 86846006
5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685506

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (CID 46525121) is 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is O=C(NCC(=O)N1CCCC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is DAAYYYLUHDUNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c13-10-4-3-9(7-14-10)12(18)15-8-11(17)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8H2,(H,15,18).
What are the key properties of 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 267.72 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46525121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).