N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide

C15H12N4O2S — CID 86762172

IUPACN-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide
SMILESCc1csc(NC(=O)c2cncc(Oc3cccnc3)c2)n1
InChIInChI=1S/C15H12N4O2S/c1-10-9-22-15(18-10)19-14(20)11-5-13(8-17-6-11)21-12-3-2-4-16-7-12/h2-9H,1H3,(H,18,19,20)
InChIKeyMWZNQRPRJKAROY-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.29
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide (PubChem CID 86762172) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide
PubChem CID86762172
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide
SMILESCc1csc(NC(=O)c2cncc(Oc3cccnc3)c2)n1
InChIInChI=1S/C15H12N4O2S/c1-10-9-22-15(18-10)19-14(20)11-5-13(8-17-6-11)21-12-3-2-4-16-7-12/h2-9H,1H3,(H,18,19,20)
InChIKeyMWZNQRPRJKAROY-UHFFFAOYSA-N
XLogP3.29
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide (CID 86762172) is N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide is Cc1csc(NC(=O)c2cncc(Oc3cccnc3)c2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide?
The InChIKey is MWZNQRPRJKAROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c1-10-9-22-15(18-10)19-14(20)11-5-13(8-17-6-11)21-12-3-2-4-16-7-12/h2-9H,1H3,(H,18,19,20).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide is sourced from PubChem (CID 86762172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).