N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide

C18H22N4O2S2 — CID 58451928

IUPACN-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCSCCNC(=O)c1cccnc1-c1ncccc1C(=O)NCCSC
InChIInChI=1S/C18H22N4O2S2/c1-25-11-9-21-17(23)13-5-3-7-19-15(13)16-14(6-4-8-20-16)18(24)22-10-12-26-2/h3-8H,9-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySTAPSPCRZNJEFA-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.33
Rot. Bonds9

About N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide

N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 58451928) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID58451928
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC NameN-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCSCCNC(=O)c1cccnc1-c1ncccc1C(=O)NCCSC
InChIInChI=1S/C18H22N4O2S2/c1-25-11-9-21-17(23)13-5-3-7-19-15(13)16-14(6-4-8-20-16)18(24)22-10-12-26-2/h3-8H,9-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySTAPSPCRZNJEFA-UHFFFAOYSA-N
XLogP2.33
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]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

N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 63961240
2-bromo-N-(2-methylsulfanylethyl)benzamide
CID 51889373
3-[2-[(2-pyridin-4-ylpyridine-3-carbonyl)amino]ethyldisulfanyl]propanoic acid
CID 166425025
N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide
CID 63957461
methyl 2-[[2-[3-[(1-methoxy-3-methylsulfanyl-1-oxopropan-2-yl)carbamoyl]-2-pyridinyl]pyridine-3-carbonyl]amino]-3-methylsulfanylpropanoate
CID 147479342
N-(2-benzylsulfanylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 20969002
N-(2-fluoroethyl)-2-pyrimidin-4-ylpyridine-3-carboxamide
CID 167093374
2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide
CID 103890422
2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188299
2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 107358720
3-hydroxy-N-(2-methylsulfanylethyl)naphthalene-2-carboxamide
CID 60629996
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide (CID 58451928) is N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide is CSCCNC(=O)c1cccnc1-c1ncccc1C(=O)NCCSC.
What is the InChIKey of N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is STAPSPCRZNJEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-25-11-9-21-17(23)13-5-3-7-19-15(13)16-14(6-4-8-20-16)18(24)22-10-12-26-2/h3-8H,9-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide?
N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 58451928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).