5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide

C11H16ClN3OS — CID 133327417

IUPAC5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide
SMILESCSC(C)(C)CNc1ncc(C(N)=O)cc1Cl
InChIInChI=1S/C11H16ClN3OS/c1-11(2,17-3)6-15-10-8(12)4-7(5-14-10)9(13)16/h4-5H,6H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyBBIOXVBUBOITST-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.39
Rot. Bonds5

About 5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide

5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide (PubChem CID 133327417) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide
PubChem CID133327417
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide
SMILESCSC(C)(C)CNc1ncc(C(N)=O)cc1Cl
InChIInChI=1S/C11H16ClN3OS/c1-11(2,17-3)6-15-10-8(12)4-7(5-14-10)9(13)16/h4-5H,6H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyBBIOXVBUBOITST-UHFFFAOYSA-N
XLogP2.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxamide
CID 133353158
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide
CID 133294775
4-[(5-carbamoyl-3-chloro-2-pyridinyl)amino]butanoic acid
CID 122058630
5-chloro-6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 133444908
5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide
CID 47059518
5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide
CID 133308115
5-chloro-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridine-3-carboxamide
CID 56816532
5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide
CID 133294380
5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide
CID 133294647
5-chloro-6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxamide
CID 133325951
5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 133449160

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide (CID 133327417) is 5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide is CSC(C)(C)CNc1ncc(C(N)=O)cc1Cl.
What is the InChIKey of 5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide?
The InChIKey is BBIOXVBUBOITST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-11(2,17-3)6-15-10-8(12)4-7(5-14-10)9(13)16/h4-5H,6H2,1-3H3,(H2,13,16)(H,14,15).
What are the key properties of 5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide?
5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide has a molecular weight of 273.79 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 133327417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).