2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide

C12H19N3O2S — CID 113486728

IUPAC2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C)CS(C)=O)cc(N)n1
InChIInChI=1S/C12H19N3O2S/c1-4-10-5-9(6-11(13)15-10)12(16)14-8(2)7-18(3)17/h5-6,8H,4,7H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyFLBCIUFGKNSGIV-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.72
Rot. Bonds5

About 2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide

2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 113486728) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
PubChem CID113486728
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C)CS(C)=O)cc(N)n1
InChIInChI=1S/C12H19N3O2S/c1-4-10-5-9(6-11(13)15-10)12(16)14-8(2)7-18(3)17/h5-6,8H,4,7H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyFLBCIUFGKNSGIV-UHFFFAOYSA-N
XLogP0.72
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3,3-dimethylbutan-2-yl)-6-ethylpyridine-4-carboxamide
CID 113458047
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide
CID 106347161
2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 113493444
2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide
CID 62155359
2-amino-N-(cyclopentylmethyl)-6-ethylpyridine-4-carboxamide
CID 113380993
5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114089576
2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide
CID 113499345
N-(1-cyclopropylpropan-2-yl)-2-ethyl-6-hydrazinylpyridine-4-carboxamide
CID 113381224
4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116672740
2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 62185813
1-tert-butyl-5-methyl-N-(1-methylsulfinylpropan-2-yl)pyrazole-3-carboxamide
CID 75454846
6-(1-methylsulfinylpropan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113486690

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide (CID 113486728) is 2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide is CCc1cc(C(=O)NC(C)CS(C)=O)cc(N)n1.
What is the InChIKey of 2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is FLBCIUFGKNSGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-4-10-5-9(6-11(13)15-10)12(16)14-8(2)7-18(3)17/h5-6,8H,4,7H2,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide?
2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 113486728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).