N-[5-[3-[4-(2-amino-3-pyridinyl)phenyl]azetidine-1-carbonyl]-2-methylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide

C32H32N6O3 — CID 118646009

About N-[5-[3-[4-(2-amino-3-pyridinyl)phenyl]azetidine-1-carbonyl]-2-methylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[5-[3-[4-(2-amino-3-pyridinyl)phenyl]azetidine-1-carbonyl]-2-methylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 118646009) has the molecular formula C32H32N6O3 and a molecular weight of 548.65 g/mol. Its IUPAC name is N-[5-[3-[4-(2-amino-3-pyridinyl)phenyl]azetidine-1-carbonyl]-2-methylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(2-amino-3-pyridinyl)phenyl]azetidine-1-carbonyl]-2-methylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide
• PubChem CID: 118646009
• Molecular Formula: C32H32N6O3
• Molecular Weight: 548.65 g/mol
• Exact Mass: 548.25
• IUPAC Name: N-[5-[3-[4-(2-amino-3-pyridinyl)phenyl]azetidine-1-carbonyl]-2-methylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)N2CC(c3ccc(-c4cccnc4N)cc3)C2)cc1NC(=O)c1ccc(N2CCOCC2)nc1
• InChI: InChI=1S/C32H32N6O3/c1-21-4-5-24(17-28(21)36-31(39)25-10-11-29(35-18-25)37-13-15-41-16-14-37)32(40)38-19-26(20-38)22-6-8-23(9-7-22)27-3-2-12-34-30(27)33/h2-12,17-18,26H,13-16,19-20H2,1H3,(H2,33,34)(H,36,39)
• InChIKey: MTRAFYAMPZTTTD-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 113.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.65
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(2-amino-3-pyridinyl)phenyl]azetidine-1-carbonyl]-2-methylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide?

The IUPAC name of N-[5-[3-[4-(2-amino-3-pyridinyl)phenyl]azetidine-1-carbonyl]-2-methylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 118646009) is N-[5-[3-[4-(2-amino-3-pyridinyl)phenyl]azetidine-1-carbonyl]-2-methylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide.

What is the SMILES notation for N-[5-[3-[4-(2-amino-3-pyridinyl)phenyl]azetidine-1-carbonyl]-2-methylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide?

The canonical SMILES for N-[5-[3-[4-(2-amino-3-pyridinyl)phenyl]azetidine-1-carbonyl]-2-methylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide is Cc1ccc(C(=O)N2CC(c3ccc(-c4cccnc4N)cc3)C2)cc1NC(=O)c1ccc(N2CCOCC2)nc1.

What is the InChIKey of N-[5-[3-[4-(2-amino-3-pyridinyl)phenyl]azetidine-1-carbonyl]-2-methylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide?

The InChIKey is MTRAFYAMPZTTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O3/c1-21-4-5-24(17-28(21)36-31(39)25-10-11-29(35-18-25)37-13-15-41-16-14-37)32(40)38-19-26(20-38)22-6-8-23(9-7-22)27-3-2-12-34-30(27)33/h2-12,17-18,26H,13-16,19-20H2,1H3,(H2,33,34)(H,36,39).

What are the key properties of N-[5-[3-[4-(2-amino-3-pyridinyl)phenyl]azetidine-1-carbonyl]-2-methylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide?

N-[5-[3-[4-(2-amino-3-pyridinyl)phenyl]azetidine-1-carbonyl]-2-methylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 548.65 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(2-amino-3-pyridinyl)phenyl]azetidine-1-carbonyl]-2-methylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 118646009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).