2,6-dichloro-N-[2-(5-oxopyrrolidin-3-yl)ethyl]pyridine-4-carboxamide

C12H13Cl2N3O2 — CID 167810090

IUPAC2,6-dichloro-N-[2-(5-oxopyrrolidin-3-yl)ethyl]pyridine-4-carboxamide
SMILESO=C1CC(CCNC(=O)c2cc(Cl)nc(Cl)c2)CN1
InChIInChI=1S/C12H13Cl2N3O2/c13-9-4-8(5-10(14)17-9)12(19)15-2-1-7-3-11(18)16-6-7/h4-5,7H,1-3,6H2,(H,15,19)(H,16,18)
InChIKeyFDANOKIODIBSFR-UHFFFAOYSA-N
MW302.16 g/mol
LogP1.64
Rot. Bonds4

About 2,6-dichloro-N-[2-(5-oxopyrrolidin-3-yl)ethyl]pyridine-4-carboxamide

2,6-dichloro-N-[2-(5-oxopyrrolidin-3-yl)ethyl]pyridine-4-carboxamide (PubChem CID 167810090) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(5-oxopyrrolidin-3-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(5-oxopyrrolidin-3-yl)ethyl]pyridine-4-carboxamide
PubChem CID167810090
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC Name2,6-dichloro-N-[2-(5-oxopyrrolidin-3-yl)ethyl]pyridine-4-carboxamide
SMILESO=C1CC(CCNC(=O)c2cc(Cl)nc(Cl)c2)CN1
InChIInChI=1S/C12H13Cl2N3O2/c13-9-4-8(5-10(14)17-9)12(19)15-2-1-7-3-11(18)16-6-7/h4-5,7H,1-3,6H2,(H,15,19)(H,16,18)
InChIKeyFDANOKIODIBSFR-UHFFFAOYSA-N
XLogP1.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 55041983
2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide
CID 113378333
2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 113429248
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 66004828
2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 60693650
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819
2-amino-6-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 55042052
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 61149972
2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
CID 61237115
2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide
CID 110024020

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(5-oxopyrrolidin-3-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[2-(5-oxopyrrolidin-3-yl)ethyl]pyridine-4-carboxamide (CID 167810090) is 2,6-dichloro-N-[2-(5-oxopyrrolidin-3-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(5-oxopyrrolidin-3-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[2-(5-oxopyrrolidin-3-yl)ethyl]pyridine-4-carboxamide is O=C1CC(CCNC(=O)c2cc(Cl)nc(Cl)c2)CN1.
What is the InChIKey of 2,6-dichloro-N-[2-(5-oxopyrrolidin-3-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is FDANOKIODIBSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/c13-9-4-8(5-10(14)17-9)12(19)15-2-1-7-3-11(18)16-6-7/h4-5,7H,1-3,6H2,(H,15,19)(H,16,18).
What are the key properties of 2,6-dichloro-N-[2-(5-oxopyrrolidin-3-yl)ethyl]pyridine-4-carboxamide?
2,6-dichloro-N-[2-(5-oxopyrrolidin-3-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 302.16 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(5-oxopyrrolidin-3-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 167810090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).