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

C13H18ClN3OS — CID 170610852

IUPAC6-chloro-3-methyl-N-(1-methylsulfanylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCSN1CCC(NC(=O)c2nc(Cl)ccc2C)CC1
InChIInChI=1S/C13H18ClN3OS/c1-9-3-4-11(14)16-12(9)13(18)15-10-5-7-17(19-2)8-6-10/h3-4,10H,5-8H2,1-2H3,(H,15,18)
InChIKeyVNAOAHGJNPKGKY-UHFFFAOYSA-N
MW299.83 g/mol
LogP2.52
Rot. Bonds3

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

6-chloro-3-methyl-N-(1-methylsulfanylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 170610852) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is 6-chloro-3-methyl-N-(1-methylsulfanylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-methyl-N-(1-methylsulfanylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID170610852
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC Name6-chloro-3-methyl-N-(1-methylsulfanylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCSN1CCC(NC(=O)c2nc(Cl)ccc2C)CC1
InChIInChI=1S/C13H18ClN3OS/c1-9-3-4-11(14)16-12(9)13(18)15-10-5-7-17(19-2)8-6-10/h3-4,10H,5-8H2,1-2H3,(H,15,18)
InChIKeyVNAOAHGJNPKGKY-UHFFFAOYSA-N
XLogP2.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 170610856
3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
CID 51255447
3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide
CID 60693528
6-amino-3-chloro-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 62155799
6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 168678064
3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
CID 104693580
potassium 6-chloro-3-methylpyridine-2-carboxylate
CID 86707308
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide
CID 106993304
3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide
CID 113346386
3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide
CID 54898284
6-chloro-N-cyclobutylpyridine-2-carboxamide
CID 62416543
6-chloro-N,N,3-trimethylpyridine-2-carboxamide
CID 129104169

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-N-(1-methylsulfanylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-3-methyl-N-(1-methylsulfanylpiperidin-4-yl)pyridine-2-carboxamide (CID 170610852) is 6-chloro-3-methyl-N-(1-methylsulfanylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-methyl-N-(1-methylsulfanylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-3-methyl-N-(1-methylsulfanylpiperidin-4-yl)pyridine-2-carboxamide is CSN1CCC(NC(=O)c2nc(Cl)ccc2C)CC1.
What is the InChIKey of 6-chloro-3-methyl-N-(1-methylsulfanylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is VNAOAHGJNPKGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3OS/c1-9-3-4-11(14)16-12(9)13(18)15-10-5-7-17(19-2)8-6-10/h3-4,10H,5-8H2,1-2H3,(H,15,18).
What are the key properties of 6-chloro-3-methyl-N-(1-methylsulfanylpiperidin-4-yl)pyridine-2-carboxamide?
6-chloro-3-methyl-N-(1-methylsulfanylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 299.83 g/mol, XLogP of 2.52, 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-methylsulfanylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 170610852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).