2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide

C12H19N3O2S — CID 113252013

IUPAC2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCCS(=O)CC)ccn1
InChIInChI=1S/C12H19N3O2S/c1-3-13-11-9-10(5-6-14-11)12(16)15-7-8-18(17)4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyANVVBVUFPDQERM-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.01
Rot. Bonds7

About 2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide

2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide (PubChem CID 113252013) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
PubChem CID113252013
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCCS(=O)CC)ccn1
InChIInChI=1S/C12H19N3O2S/c1-3-13-11-9-10(5-6-14-11)12(16)15-7-8-18(17)4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyANVVBVUFPDQERM-UHFFFAOYSA-N
XLogP1.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
CID 104844461
N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide
CID 83115069
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62176334
N-[2-(dimethylamino)-2-methylpropyl]-2-(ethylamino)pyridine-4-carboxamide
CID 62177284
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
CID 115492102
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-cyclopentyl-2-(ethylamino)pyridine-4-carboxamide
CID 62173243
2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115760555
N,N-diethyl-2-(ethylamino)pyridine-4-carboxamide
CID 62172696
3-amino-N-(2-ethylsulfinylethyl)-4-methylbenzamide
CID 113266704
2-(ethylamino)-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 62165184
2-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 62990051

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide (CID 113252013) is 2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide is CCNc1cc(C(=O)NCCS(=O)CC)ccn1.
What is the InChIKey of 2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide?
The InChIKey is ANVVBVUFPDQERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-3-13-11-9-10(5-6-14-11)12(16)15-7-8-18(17)4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide?
2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 113252013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).