2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide

C10H14ClN3O3S — CID 114923822

IUPAC2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C10H14ClN3O3S/c1-6(5-18(2,16)17)14-10(15)7-3-9(12)13-4-8(7)11/h3-4,6H,5H2,1-2H3,(H2,12,13)(H,14,15)
InChIKeyOQWJKQWRIYRPJE-UHFFFAOYSA-N
MW291.76 g/mol
LogP0.48
Rot. Bonds4

About 2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide

2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 114923822) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
PubChem CID114923822
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C10H14ClN3O3S/c1-6(5-18(2,16)17)14-10(15)7-3-9(12)13-4-8(7)11/h3-4,6H,5H2,1-2H3,(H2,12,13)(H,14,15)
InChIKeyOQWJKQWRIYRPJE-UHFFFAOYSA-N
XLogP0.48
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
CID 114921730
5-chloro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923823
2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 114922209
2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 114924604
2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 114924724
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
4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride
CID 119786700
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-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid
CID 114195177
2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide
CID 64643078

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide (CID 114923822) is 2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide is CC(CS(C)(=O)=O)NC(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is OQWJKQWRIYRPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-6(5-18(2,16)17)14-10(15)7-3-9(12)13-4-8(7)11/h3-4,6H,5H2,1-2H3,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide?
2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 291.76 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114923822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).