4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide

C13H21N3OS — CID 114238290

IUPAC4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)N(C)CCCSC
InChIInChI=1S/C13H21N3OS/c1-4-15-12-6-7-14-10-11(12)13(17)16(2)8-5-9-18-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,15)
InChIKeyIWHKXDIUAOZAMQ-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.34
Rot. Bonds7

About 4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide

4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide (PubChem CID 114238290) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
PubChem CID114238290
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)N(C)CCCSC
InChIInChI=1S/C13H21N3OS/c1-4-15-12-6-7-14-10-11(12)13(17)16(2)8-5-9-18-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,15)
InChIKeyIWHKXDIUAOZAMQ-UHFFFAOYSA-N
XLogP2.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81242281
4-(ethylamino)-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 81242334
3-(ethylamino)-N-methyl-N-propylpyridine-4-carboxamide
CID 105068562
N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 81236873
4-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81241438
N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide
CID 81238819
N-butyl-N-cyclopropyl-4-(ethylamino)pyridine-3-carboxamide
CID 81242322
N-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide
CID 81240030
4-hydrazinyl-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide
CID 81256357
4-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-carboxamide
CID 81234678
4-(ethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 81240912
N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 112664221

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide (CID 114238290) is 4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide is CCNc1ccncc1C(=O)N(C)CCCSC.
What is the InChIKey of 4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide?
The InChIKey is IWHKXDIUAOZAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-15-12-6-7-14-10-11(12)13(17)16(2)8-5-9-18-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,15).
What are the key properties of 4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide?
4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 114238290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).