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

C13H18ClN3O3S — CID 170610856

IUPAC6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCc1ccc(Cl)nc1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H18ClN3O3S/c1-9-3-4-11(14)16-12(9)13(18)15-10-5-7-17(8-6-10)21(2,19)20/h3-4,10H,5-8H2,1-2H3,(H,15,18)
InChIKeyIPOQUSZPOMIHGD-UHFFFAOYSA-N
MW331.83 g/mol
LogP1.20
Rot. Bonds3

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

6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 170610856) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.83 g/mol. Its IUPAC name is 6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID170610856
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.83 g/mol
Exact Mass331.08
IUPAC Name6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCc1ccc(Cl)nc1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H18ClN3O3S/c1-9-3-4-11(14)16-12(9)13(18)15-10-5-7-17(8-6-10)21(2,19)20/h3-4,10H,5-8H2,1-2H3,(H,15,18)
InChIKeyIPOQUSZPOMIHGD-UHFFFAOYSA-N
XLogP1.20
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-methyl-N-(1-methylsulfanylpiperidin-4-yl)pyridine-2-carboxamide
CID 170610852
2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide
CID 60734326
2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 108561587
3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
CID 51255447
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
CID 47157349
6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 115497114
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide
CID 60693528
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
3,4,5,6-tetrachloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
CID 24652720

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide (CID 170610856) is 6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide is Cc1ccc(Cl)nc1C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is IPOQUSZPOMIHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c1-9-3-4-11(14)16-12(9)13(18)15-10-5-7-17(8-6-10)21(2,19)20/h3-4,10H,5-8H2,1-2H3,(H,15,18).
What are the key properties of 6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide?
6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 331.83 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 170610856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).