3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide

C13H21N3OS — CID 105071292

IUPAC3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NC(CC)CSC
InChIInChI=1S/C13H21N3OS/c1-4-10(9-18-3)16-13(17)11-6-7-14-8-12(11)15-5-2/h6-8,10,15H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyKPEKFASCSWQCNF-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.38
Rot. Bonds7

About 3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide

3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide (PubChem CID 105071292) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
PubChem CID105071292
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NC(CC)CSC
InChIInChI=1S/C13H21N3OS/c1-4-10(9-18-3)16-13(17)11-6-7-14-8-12(11)15-5-2/h6-8,10,15H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyKPEKFASCSWQCNF-UHFFFAOYSA-N
XLogP2.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide
CID 106347123
3-(ethylamino)-N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 105070222
N-hexan-3-yl-3-hydrazinylpyridine-4-carboxamide
CID 105071655
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105069549
4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067
4-(ethylamino)-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
CID 81242327
N-(2-methylpentan-3-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105069100
3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide
CID 105069176
N-cyclopentyl-3-(ethylamino)pyridine-4-carboxamide
CID 105068169
N-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105067886
N-hexan-3-yl-3-hydroxypyridine-4-carboxamide
CID 81442686
4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 81236752

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide (CID 105071292) is 3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide is CCNc1cnccc1C(=O)NC(CC)CSC.
What is the InChIKey of 3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The InChIKey is KPEKFASCSWQCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-10(9-18-3)16-13(17)11-6-7-14-8-12(11)15-5-2/h6-8,10,15H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of 3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105071292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).