2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide

C11H16ClN3O2S — CID 114924604

IUPAC2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
SMILESCC(CCS(C)=O)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C11H16ClN3O2S/c1-7(3-4-18(2)17)15-11(16)8-5-10(13)14-6-9(8)12/h5-7H,3-4H2,1-2H3,(H2,13,14)(H,15,16)
InChIKeyQVYPQIDVWBQXMI-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.20
Rot. Bonds5

About 2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide

2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide (PubChem CID 114924604) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
PubChem CID114924604
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
SMILESCC(CCS(C)=O)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C11H16ClN3O2S/c1-7(3-4-18(2)17)15-11(16)8-5-10(13)14-6-9(8)12/h5-7H,3-4H2,1-2H3,(H2,13,14)(H,15,16)
InChIKeyQVYPQIDVWBQXMI-UHFFFAOYSA-N
XLogP1.20
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
CID 114921730
2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 114922209
2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923822
2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 114924724
2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114918896
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923012
2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 114924418
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
2,4-diamino-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113493375
2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide
CID 114923757
5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113248423

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide (CID 114924604) is 2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide is CC(CCS(C)=O)NC(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide?
The InChIKey is QVYPQIDVWBQXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-7(3-4-18(2)17)15-11(16)8-5-10(13)14-6-9(8)12/h5-7H,3-4H2,1-2H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide?
2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide has a molecular weight of 289.79 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114924604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).