N-[(6-methoxy-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide

C17H18N8O2 — CID 121168571

About N-[(6-methoxy-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide

N-[(6-methoxy-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide (PubChem CID 121168571) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-methoxy-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
• PubChem CID: 121168571
• Molecular Formula: C17H18N8O2
• Molecular Weight: 366.39 g/mol
• Exact Mass: 366.16
• IUPAC Name: N-[(6-methoxy-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
• SMILES: COc1ccc(CNC(=O)C2CN(c3cc(-n4cncn4)ncn3)C2)cn1
• InChI: InChI=1S/C17H18N8O2/c1-27-16-3-2-12(5-19-16)6-20-17(26)13-7-24(8-13)14-4-15(22-10-21-14)25-11-18-9-23-25/h2-5,9-11,13H,6-8H2,1H3,(H,20,26)
• InChIKey: XPOHZBNLRKOYBM-UHFFFAOYSA-N
• XLogP: 0.21
• TPSA: 110.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.39
LogP ≤ 5	0.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?

The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide (CID 121168571) is N-[(6-methoxy-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide.

What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?

The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide is COc1ccc(CNC(=O)C2CN(c3cc(-n4cncn4)ncn3)C2)cn1.

What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?

The InChIKey is XPOHZBNLRKOYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2/c1-27-16-3-2-12(5-19-16)6-20-17(26)13-7-24(8-13)14-4-15(22-10-21-14)25-11-18-9-23-25/h2-5,9-11,13H,6-8H2,1H3,(H,20,26).

What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?

N-[(6-methoxy-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methoxy-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide is sourced from PubChem (CID 121168571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).