4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide

C27H22N6O3S — CID 176833381

About 4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide

4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 176833381) has the molecular formula C27H22N6O3S and a molecular weight of 510.58 g/mol. Its IUPAC name is 4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide
• PubChem CID: 176833381
• Molecular Formula: C27H22N6O3S
• Molecular Weight: 510.58 g/mol
• Exact Mass: 510.15
• IUPAC Name: 4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide
• SMILES: COc1ccc(C#N)cc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)c1ccncc1)CC2
• InChI: InChI=1S/C27H22N6O3S/c1-16-11-19(20-12-17(13-28)3-4-23(20)36-2)21(14-30-16)25(34)32-27-31-22-7-10-33(15-24(22)37-27)26(35)18-5-8-29-9-6-18/h3-6,8-9,11-12,14H,7,10,15H2,1-2H3,(H,31,32,34)
• InChIKey: MKJGXPVMFGUVDG-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 121.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.58
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide?

The IUPAC name of 4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide (CID 176833381) is 4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide is COc1ccc(C#N)cc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)c1ccncc1)CC2.

What is the InChIKey of 4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide?

The InChIKey is MKJGXPVMFGUVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O3S/c1-16-11-19(20-12-17(13-28)3-4-23(20)36-2)21(14-30-16)25(34)32-27-31-22-7-10-33(15-24(22)37-27)26(35)18-5-8-29-9-6-18/h3-6,8-9,11-12,14H,7,10,15H2,1-2H3,(H,31,32,34).

What are the key properties of 4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide?

4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 510.58 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 176833381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).