6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide

C11H16ClN3O3S — CID 79555286

IUPAC6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cnc(N)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C11H16ClN3O3S/c1-11(2,19(3,17)18)6-15-10(16)7-4-8(12)9(13)14-5-7/h4-5H,6H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeySBJDPTNAPHTEGM-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.87
Rot. Bonds4

About 6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide

6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide (PubChem CID 79555286) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide
PubChem CID79555286
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cnc(N)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C11H16ClN3O3S/c1-11(2,19(3,17)18)6-15-10(16)7-4-8(12)9(13)14-5-7/h4-5H,6H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeySBJDPTNAPHTEGM-UHFFFAOYSA-N
XLogP0.87
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-5-chloro-N-propylpyridine-3-carboxamide
CID 62156037
6-amino-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 110000831
5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
CID 63861191
6-amino-5-chloro-N-hydroxypyridine-3-carboxamide
CID 130615065
6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 55041683
1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one
CID 71036305
4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79552037
6-amino-N-benzyl-5-chloropyridine-3-carboxamide
CID 62153073
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide
CID 113226390
6-amino-5-chloro-N-(2-cyclopentylethyl)pyridine-3-carboxamide
CID 62161812
6-amino-5-chloro-N-(cyclobutylmethyl)pyridine-3-carboxamide
CID 62155457
6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 62186973

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide (CID 79555286) is 6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide is CC(C)(CNC(=O)c1cnc(N)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide?
The InChIKey is SBJDPTNAPHTEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-11(2,19(3,17)18)6-15-10(16)7-4-8(12)9(13)14-5-7/h4-5H,6H2,1-3H3,(H2,13,14)(H,15,16).
What are the key properties of 6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide?
6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide has a molecular weight of 305.79 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 79555286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).