2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide

C12H18ClN3OS — CID 112692132

IUPAC2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)C(C)CSC)cc(Cl)n1
InChIInChI=1S/C12H18ClN3OS/c1-8(7-18-4)16(3)12(17)9-5-10(13)15-11(6-9)14-2/h5-6,8H,7H2,1-4H3,(H,14,15)
InChIKeyGMMKDJRSTDTBJJ-UHFFFAOYSA-N
MW287.82 g/mol
LogP2.60
Rot. Bonds5

About 2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide

2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 112692132) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
PubChem CID112692132
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)C(C)CSC)cc(Cl)n1
InChIInChI=1S/C12H18ClN3OS/c1-8(7-18-4)16(3)12(17)9-5-10(13)15-11(6-9)14-2/h5-6,8H,7H2,1-4H3,(H,14,15)
InChIKeyGMMKDJRSTDTBJJ-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

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 55051035
5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 112664211
2,6-dichloro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 115869509
2,6-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 60794728
3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103827012
6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112692061
2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide
CID 115649303
2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 62169933
2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide
CID 62200290
2-chloro-6-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 62169675
2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111115777
2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111447865

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide (CID 112692132) is 2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide is CNc1cc(C(=O)N(C)C(C)CSC)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is GMMKDJRSTDTBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c1-8(7-18-4)16(3)12(17)9-5-10(13)15-11(6-9)14-2/h5-6,8H,7H2,1-4H3,(H,14,15).
What are the key properties of 2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide?
2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-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 2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 112692132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).