5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide

C15H16ClN3OS — CID 133294380

IUPAC5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide
SMILESCSCCc1ccc(Nc2ncc(C(N)=O)cc2Cl)cc1
InChIInChI=1S/C15H16ClN3OS/c1-21-7-6-10-2-4-12(5-3-10)19-15-13(16)8-11(9-18-15)14(17)20/h2-5,8-9H,6-7H2,1H3,(H2,17,20)(H,18,19)
InChIKeyYBHBBDLAIFGXJX-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.48
Rot. Bonds6

About 5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide

5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide (PubChem CID 133294380) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide
PubChem CID133294380
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide
SMILESCSCCc1ccc(Nc2ncc(C(N)=O)cc2Cl)cc1
InChIInChI=1S/C15H16ClN3OS/c1-21-7-6-10-2-4-12(5-3-10)19-15-13(16)8-11(9-18-15)14(17)20/h2-5,8-9H,6-7H2,1H3,(H2,17,20)(H,18,19)
InChIKeyYBHBBDLAIFGXJX-UHFFFAOYSA-N
XLogP3.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide
CID 133294137
5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide
CID 133294464
5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide
CID 133327417
5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide
CID 133294479
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide
CID 94588614
6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133395258
5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133272654
5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide
CID 133322616
5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide
CID 47059518
[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584592
6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide
CID 133292141

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide (CID 133294380) is 5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide is CSCCc1ccc(Nc2ncc(C(N)=O)cc2Cl)cc1.
What is the InChIKey of 5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide?
The InChIKey is YBHBBDLAIFGXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-21-7-6-10-2-4-12(5-3-10)19-15-13(16)8-11(9-18-15)14(17)20/h2-5,8-9H,6-7H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide?
5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide has a molecular weight of 321.83 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 133294380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).