N-(2-methylsulfanylethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C20H20N4O2S — CID 59373966

IUPACN-(2-methylsulfanylethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCSCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C20H20N4O2S/c1-27-14-13-22-19(25)17-5-4-12-23-20(17)26-16-9-7-15(8-10-16)24-18-6-2-3-11-21-18/h2-12H,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyWZGCUXPLNLYXOR-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.11
Rot. Bonds8

About N-(2-methylsulfanylethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-(2-methylsulfanylethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59373966) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59373966
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(2-methylsulfanylethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCSCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C20H20N4O2S/c1-27-14-13-22-19(25)17-5-4-12-23-20(17)26-16-9-7-15(8-10-16)24-18-6-2-3-11-21-18/h2-12H,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyWZGCUXPLNLYXOR-UHFFFAOYSA-N
XLogP4.11
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.11
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-[4-(pyridin-2-ylamino)phenoxy]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

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(2-methylsulfanylethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59373966) is N-(2-methylsulfanylethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylsulfanylethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is CSCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-(2-methylsulfanylethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is WZGCUXPLNLYXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-27-14-13-22-19(25)17-5-4-12-23-20(17)26-16-9-7-15(8-10-16)24-18-6-2-3-11-21-18/h2-12H,13-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-methylsulfanylethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-(2-methylsulfanylethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59373966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).