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

C11H17N3OS — CID 63963789

IUPAC4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NCCSC)c1
InChIInChI=1S/C11H17N3OS/c1-3-12-9-4-5-13-10(8-9)11(15)14-6-7-16-2/h4-5,8H,3,6-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMDHIZOHROSXEPW-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.61
Rot. Bonds6

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

4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide (PubChem CID 63963789) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
PubChem CID63963789
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NCCSC)c1
InChIInChI=1S/C11H17N3OS/c1-3-12-9-4-5-13-10(8-9)11(15)14-6-7-16-2/h4-5,8H,3,6-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMDHIZOHROSXEPW-UHFFFAOYSA-N
XLogP1.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63962299
4-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342560
4-(ethylamino)-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide
CID 55046976
4-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62172971
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62978567
N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
4-(ethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62173804
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
CID 66286478
N-(cyclobutylmethyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167949
N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62186393
4-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62175846

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide (CID 63963789) is 4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide is CCNc1ccnc(C(=O)NCCSC)c1.
What is the InChIKey of 4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide?
The InChIKey is MDHIZOHROSXEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-12-9-4-5-13-10(8-9)11(15)14-6-7-16-2/h4-5,8H,3,6-7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide?
4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 63963789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).