5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide

C12H18ClN3OS — CID 112664211

IUPAC5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)N(C)C(C)CSC)cc1Cl
InChIInChI=1S/C12H18ClN3OS/c1-8(7-18-4)16(3)12(17)9-5-10(13)11(14-2)15-6-9/h5-6,8H,7H2,1-4H3,(H,14,15)
InChIKeyVYBHIPJCEXUEFZ-UHFFFAOYSA-N
MW287.82 g/mol
LogP2.60
Rot. Bonds5

About 5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide

5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide (PubChem CID 112664211) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
PubChem CID112664211
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)N(C)C(C)CSC)cc1Cl
InChIInChI=1S/C12H18ClN3OS/c1-8(7-18-4)16(3)12(17)9-5-10(13)11(14-2)15-6-9/h5-6,8H,7H2,1-4H3,(H,14,15)
InChIKeyVYBHIPJCEXUEFZ-UHFFFAOYSA-N
XLogP2.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide
CID 62170738
5-chloro-N-methyl-6-(methylamino)-N-propylpyridine-3-carboxamide
CID 62168287
5-chloro-N-methyl-6-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 79489198
2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 112692132
5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 55047231
5-chloro-6-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62243427
5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63963372
5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62186092
5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide
CID 55046864
5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62169928
5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486134
3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103827012

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide (CID 112664211) is 5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide is CNc1ncc(C(=O)N(C)C(C)CSC)cc1Cl.
What is the InChIKey of 5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide?
The InChIKey is VYBHIPJCEXUEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c1-8(7-18-4)16(3)12(17)9-5-10(13)11(14-2)15-6-9/h5-6,8H,7H2,1-4H3,(H,14,15).
What are the key properties of 5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide?
5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide has a molecular weight of 287.82 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 112664211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).