2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide

C13H16ClN3O2 — CID 106253688

IUPAC2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC2CCN(C)C2=O)cc(Cl)n1
InChIInChI=1S/C13H16ClN3O2/c1-3-9-6-8(7-11(14)15-9)12(18)16-10-4-5-17(2)13(10)19/h6-7,10H,3-5H2,1-2H3,(H,16,18)
InChIKeyCKELJKHYVNHVSO-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.26
Rot. Bonds3

About 2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide

2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide (PubChem CID 106253688) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
PubChem CID106253688
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC2CCN(C)C2=O)cc(Cl)n1
InChIInChI=1S/C13H16ClN3O2/c1-3-9-6-8(7-11(14)15-9)12(18)16-10-4-5-17(2)13(10)19/h6-7,10H,3-5H2,1-2H3,(H,16,18)
InChIKeyCKELJKHYVNHVSO-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
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

2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 104952562
3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 114163964
5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 75390408
3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 106258823
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257175
2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106120872
N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-6-carboxamide
CID 106256433
(2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 107877627
2-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 103810798
5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide
CID 136512866
4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
CID 96506947
4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113266759

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide (CID 106253688) is 2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide is CCc1cc(C(=O)NC2CCN(C)C2=O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide?
The InChIKey is CKELJKHYVNHVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-3-9-6-8(7-11(14)15-9)12(18)16-10-4-5-17(2)13(10)19/h6-7,10H,3-5H2,1-2H3,(H,16,18).
What are the key properties of 2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide?
2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 106253688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).