N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

C25H28N8O3S — CID 170634380

About N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (PubChem CID 170634380) has the molecular formula C25H28N8O3S and a molecular weight of 520.62 g/mol. Its IUPAC name is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
• PubChem CID: 170634380
• Molecular Formula: C25H28N8O3S
• Molecular Weight: 520.62 g/mol
• Exact Mass: 520.20
• IUPAC Name: N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1nnc2cc(-c3nc(C)c(CO)s3)ccn12
• InChI: InChI=1S/C25H28N8O3S/c1-14-18(8-17(9-26-14)28-21(35)10-32-12-25(3,4)13-32)29-23(36)22-31-30-20-7-16(5-6-33(20)22)24-27-15(2)19(11-34)37-24/h5-9,34H,10-13H2,1-4H3,(H,28,35)(H,29,36)
• InChIKey: LNAFZBAMONOEOV-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 137.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.62
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (CID 170634380) is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is Cc1ncc(NC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1nnc2cc(-c3nc(C)c(CO)s3)ccn12.

What is the InChIKey of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The InChIKey is LNAFZBAMONOEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O3S/c1-14-18(8-17(9-26-14)28-21(35)10-32-12-25(3,4)13-32)29-23(36)22-31-30-20-7-16(5-6-33(20)22)24-27-15(2)19(11-34)37-24/h5-9,34H,10-13H2,1-4H3,(H,28,35)(H,29,36).

What are the key properties of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide has a molecular weight of 520.62 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is sourced from PubChem (CID 170634380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).