6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide

C10H13ClN2O2S — CID 172555899

IUPAC6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide
SMILESCON(C)C(=O)c1nc(Cl)ccc1CSC
InChIInChI=1S/C10H13ClN2O2S/c1-13(15-2)10(14)9-7(6-16-3)4-5-8(11)12-9/h4-5H,6H2,1-3H3
InChIKeyCSBXHANRMUIKMK-UHFFFAOYSA-N
MW260.75 g/mol
LogP2.23
Rot. Bonds4

About 6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide

6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide (PubChem CID 172555899) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide
PubChem CID172555899
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide
SMILESCON(C)C(=O)c1nc(Cl)ccc1CSC
InChIInChI=1S/C10H13ClN2O2S/c1-13(15-2)10(14)9-7(6-16-3)4-5-8(11)12-9/h4-5H,6H2,1-3H3
InChIKeyCSBXHANRMUIKMK-UHFFFAOYSA-N
XLogP2.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776
3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 86666725
N-methoxy-N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 60644798
3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide
CID 171547824
N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide
CID 60717294
methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate
CID 140938984
2-chloro-N-methoxy-N,6-dimethylpyridine-3-carboxamide
CID 53416990
6-chloro-N,N,3-trimethylpyridine-2-carboxamide
CID 129104169
3,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 35136218
3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 47215448
2-chloro-N,6-dimethoxy-N-methylpyridine-3-carboxamide
CID 129138511
4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide
CID 54393293

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide (CID 172555899) is 6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide is CON(C)C(=O)c1nc(Cl)ccc1CSC.
What is the InChIKey of 6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
The InChIKey is CSBXHANRMUIKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-13(15-2)10(14)9-7(6-16-3)4-5-8(11)12-9/h4-5H,6H2,1-3H3.
What are the key properties of 6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide has a molecular weight of 260.75 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 172555899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).