2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide

C12H14ClN3O2 — CID 113378415

IUPAC2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCNC2=O)cc(Cl)n1
InChIInChI=1S/C12H14ClN3O2/c1-7-5-8(6-10(13)15-7)11(17)16-9-3-2-4-14-12(9)18/h5-6,9H,2-4H2,1H3,(H,14,18)(H,16,17)
InChIKeyNLCKOXDJGSDUQE-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.05
Rot. Bonds2

About 2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide

2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide (PubChem CID 113378415) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
PubChem CID113378415
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCNC2=O)cc(Cl)n1
InChIInChI=1S/C12H14ClN3O2/c1-7-5-8(6-10(13)15-7)11(17)16-9-3-2-4-14-12(9)18/h5-6,9H,2-4H2,1H3,(H,14,18)(H,16,17)
InChIKeyNLCKOXDJGSDUQE-UHFFFAOYSA-N
XLogP1.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.05
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

4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 104952562
5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
CID 125446782
4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide
CID 47478589
5-hydroxy-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 55258653
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 114326439
3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 126428801
3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 81090911
3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 94799711
2-chloro-N-(2,3-dimethylcyclopentyl)-6-methylpyridine-4-carboxamide
CID 113378456
5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide
CID 62181828

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide (CID 113378415) is 2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide is Cc1cc(C(=O)NC2CCCNC2=O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide?
The InChIKey is NLCKOXDJGSDUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-7-5-8(6-10(13)15-7)11(17)16-9-3-2-4-14-12(9)18/h5-6,9H,2-4H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide?
2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide has a molecular weight of 267.72 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 113378415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).