4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-carboxamide

C18H13ClN4O3S — CID 133429530

IUPAC4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(Oc3snc(Cl)c3C#N)c2C)ccn1
InChIInChI=1S/C18H13ClN4O3S/c1-10-14(25-11-6-7-22-13(8-11)17(24)21-2)4-3-5-15(10)26-18-12(9-20)16(19)23-27-18/h3-8H,1-2H3,(H,21,24)
InChIKeyHFPRDALAGCDWRD-UHFFFAOYSA-N
MW400.85 g/mol
LogP4.32
Rot. Bonds5

About 4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-carboxamide

4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 133429530) has the molecular formula C18H13ClN4O3S and a molecular weight of 400.85 g/mol. Its IUPAC name is 4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
PubChem CID133429530
Molecular FormulaC18H13ClN4O3S
Molecular Weight400.85 g/mol
Exact Mass400.04
IUPAC Name4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(Oc3snc(Cl)c3C#N)c2C)ccn1
InChIInChI=1S/C18H13ClN4O3S/c1-10-14(25-11-6-7-22-13(8-11)17(24)21-2)4-3-5-15(10)26-18-12(9-20)16(19)23-27-18/h3-8H,1-2H3,(H,21,24)
InChIKeyHFPRDALAGCDWRD-UHFFFAOYSA-N
XLogP4.32
TPSA97.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.85
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-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-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide
CID 142556489
4-[2-(hydroxymethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 107713393
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
4-(5-hydrazinyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 86069287
3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid
CID 107672806
4-[4-[(3-cyanophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002070
3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile
CID 133424572
phenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 171481580
N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide
CID 58968827
4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11429828
4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride
CID 119893186
N-methyl-4-[3-[[[3-(trifluoromethoxy)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11248488

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-carboxamide (CID 133429530) is 4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(Oc3snc(Cl)c3C#N)c2C)ccn1.
What is the InChIKey of 4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is HFPRDALAGCDWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O3S/c1-10-14(25-11-6-7-22-13(8-11)17(24)21-2)4-3-5-15(10)26-18-12(9-20)16(19)23-27-18/h3-8H,1-2H3,(H,21,24).
What are the key properties of 4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 400.85 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 133429530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).