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

C12H19N3OS — CID 115760555

IUPAC2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCC(C)SC)ccn1
InChIInChI=1S/C12H19N3OS/c1-4-13-11-7-10(5-6-14-11)12(16)15-8-9(2)17-3/h5-7,9H,4,8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyMXPUIXBWDIAMJW-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.99
Rot. Bonds6

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

2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide (PubChem CID 115760555) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
PubChem CID115760555
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCC(C)SC)ccn1
InChIInChI=1S/C12H19N3OS/c1-4-13-11-7-10(5-6-14-11)12(16)15-8-9(2)17-3/h5-7,9H,4,8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyMXPUIXBWDIAMJW-UHFFFAOYSA-N
XLogP1.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)pyridine-4-carboxamide
CID 103738168
2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
CID 107329704
N-(2-methylbutyl)-2-(propylamino)pyridine-4-carboxamide
CID 62694218
2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165522
N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide
CID 83115069
N-[2-(dimethylamino)-2-methylpropyl]-2-(ethylamino)pyridine-4-carboxamide
CID 62177284
2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 115683356
2-(methylamino)-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62694012
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62176334
2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
CID 113252013
N,N-diethyl-2-(ethylamino)pyridine-4-carboxamide
CID 62172696
N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 55042857

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide (CID 115760555) is 2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide is CCNc1cc(C(=O)NCC(C)SC)ccn1.
What is the InChIKey of 2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide?
The InChIKey is MXPUIXBWDIAMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-4-13-11-7-10(5-6-14-11)12(16)15-8-9(2)17-3/h5-7,9H,4,8H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide?
2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 115760555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).