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

C26H25N5O4S — CID 176833113

About 4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(oxolane-2-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-(oxolane-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 176833113) has the molecular formula C26H25N5O4S and a molecular weight of 503.58 g/mol. Its IUPAC name is 4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(oxolane-2-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-(oxolane-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide
• PubChem CID: 176833113
• Molecular Formula: C26H25N5O4S
• Molecular Weight: 503.58 g/mol
• Exact Mass: 503.16
• IUPAC Name: 4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(oxolane-2-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)C1CCCO1)CC2
• InChI: InChI=1S/C26H25N5O4S/c1-15-10-17(18-11-16(12-27)5-6-21(18)34-2)19(13-28-15)24(32)30-26-29-20-7-8-31(14-23(20)36-26)25(33)22-4-3-9-35-22/h5-6,10-11,13,22H,3-4,7-9,14H2,1-2H3,(H,29,30,32)
• InChIKey: SZVWMVZIXHVESX-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 117.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.58
LogP ≤ 5	3.71
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-(oxolane-2-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-(oxolane-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide (CID 176833113) is 4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(oxolane-2-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-(oxolane-2-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-(oxolane-2-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)C1CCCO1)CC2.

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

The InChIKey is SZVWMVZIXHVESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4S/c1-15-10-17(18-11-16(12-27)5-6-21(18)34-2)19(13-28-15)24(32)30-26-29-20-7-8-31(14-23(20)36-26)25(33)22-4-3-9-35-22/h5-6,10-11,13,22H,3-4,7-9,14H2,1-2H3,(H,29,30,32).

What are the key properties of 4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(oxolane-2-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-(oxolane-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 503.58 g/mol, XLogP of 3.71, 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-(oxolane-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 176833113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).