N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide

C21H24N8O2 — CID 119101015

About N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide

N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 119101015) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
• PubChem CID: 119101015
• Molecular Formula: C21H24N8O2
• Molecular Weight: 420.48 g/mol
• Exact Mass: 420.20
• IUPAC Name: N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
• SMILES: O=C(NCc1ccc(N2CCOCC2)nc1)C1CN(c2cc(-n3cccn3)ncn2)C1
• InChI: InChI=1S/C21H24N8O2/c30-21(23-12-16-2-3-18(22-11-16)27-6-8-31-9-7-27)17-13-28(14-17)19-10-20(25-15-24-19)29-5-1-4-26-29/h1-5,10-11,15,17H,6-9,12-14H2,(H,23,30)
• InChIKey: LEWZQDNGHBDZBH-UHFFFAOYSA-N
• XLogP: 0.65
• TPSA: 101.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.48
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?

The IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide (CID 119101015) is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide.

What is the SMILES notation for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?

The canonical SMILES for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide is O=C(NCc1ccc(N2CCOCC2)nc1)C1CN(c2cc(-n3cccn3)ncn2)C1.

What is the InChIKey of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?

The InChIKey is LEWZQDNGHBDZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c30-21(23-12-16-2-3-18(22-11-16)27-6-8-31-9-7-27)17-13-28(14-17)19-10-20(25-15-24-19)29-5-1-4-26-29/h1-5,10-11,15,17H,6-9,12-14H2,(H,23,30).

What are the key properties of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?

N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 119101015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).