2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide

C14H23N3OS — CID 115683356

IUPAC2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)C(C)CCSC)ccn1
InChIInChI=1S/C14H23N3OS/c1-5-15-13-10-12(6-8-16-13)14(18)17(3)11(2)7-9-19-4/h6,8,10-11H,5,7,9H2,1-4H3,(H,15,16)
InChIKeyGAEDKROMQRBNAM-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.73
Rot. Bonds7

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

2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide (PubChem CID 115683356) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
PubChem CID115683356
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)C(C)CCSC)ccn1
InChIInChI=1S/C14H23N3OS/c1-5-15-13-10-12(6-8-16-13)14(18)17(3)11(2)7-9-19-4/h6,8,10-11H,5,7,9H2,1-4H3,(H,15,16)
InChIKeyGAEDKROMQRBNAM-UHFFFAOYSA-N
XLogP2.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide
CID 115704020
5-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide
CID 107377004
N,N-diethyl-2-(ethylamino)pyridine-4-carboxamide
CID 62172696
N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 55042463
N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 55042857
3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 113366826
2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115760555
2-(ethylamino)-N,N-dipropylpyridine-4-carboxamide
CID 62167745
6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 115669895
N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 62181870
3-bromo-4-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 103707593
2-(ethylamino)-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]pyridine-4-carboxamide
CID 97321389

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide (CID 115683356) is 2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide is CCNc1cc(C(=O)N(C)C(C)CCSC)ccn1.
What is the InChIKey of 2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The InChIKey is GAEDKROMQRBNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-5-15-13-10-12(6-8-16-13)14(18)17(3)11(2)7-9-19-4/h6,8,10-11H,5,7,9H2,1-4H3,(H,15,16).
What are the key properties of 2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide has a molecular weight of 281.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 115683356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).