2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide

C18H16N4OS — CID 121165300

IUPAC2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1ccnc(-c2ccncc2)c1
InChIInChI=1S/C18H16N4OS/c1-24-18-15(3-2-7-21-18)17(23)22-12-13-4-10-20-16(11-13)14-5-8-19-9-6-14/h2-11H,12H2,1H3,(H,22,23)
InChIKeyRAHMIHXIXHRSMX-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.19
Rot. Bonds5

About 2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide

2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 121165300) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID121165300
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1ccnc(-c2ccncc2)c1
InChIInChI=1S/C18H16N4OS/c1-24-18-15(3-2-7-21-18)17(23)22-12-13-4-10-20-16(11-13)14-5-8-19-9-6-14/h2-11H,12H2,1H3,(H,22,23)
InChIKeyRAHMIHXIXHRSMX-UHFFFAOYSA-N
XLogP3.19
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]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

methyl 2-[(2-pyridin-4-yl-4-pyridinyl)methylcarbamoyl]benzoate
CID 121165433
2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165448
2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 24628486
2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 91625621
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165286
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 25487904
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide
CID 121165322
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
CID 119100867
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]furan-3-carboxamide
CID 121018130
2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 91764642

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide (CID 121165300) is 2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide is CSc1ncccc1C(=O)NCc1ccnc(-c2ccncc2)c1.
What is the InChIKey of 2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is RAHMIHXIXHRSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-24-18-15(3-2-7-21-18)17(23)22-12-13-4-10-20-16(11-13)14-5-8-19-9-6-14/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of 2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 121165300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).