N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide

C23H25FN6O — CID 157484665

About N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide

N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide (PubChem CID 157484665) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide
• PubChem CID: 157484665
• Molecular Formula: C23H25FN6O
• Molecular Weight: 420.49 g/mol
• Exact Mass: 420.21
• IUPAC Name: N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide
• SMILES: Cc1cc(C)nc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)n1
• InChI: InChI=1S/C23H25FN6O/c1-13-8-17(24)4-5-18(13)20-7-6-19(25)22(28-20)29-23(31)30-11-16(12-30)10-21-26-14(2)9-15(3)27-21/h4-9,16H,10-12,25H2,1-3H3,(H,28,29,31)
• InChIKey: XQFXQZXJDHCOII-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 97.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.49
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide?

The IUPAC name of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide (CID 157484665) is N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide.

What is the SMILES notation for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide?

The canonical SMILES for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide is Cc1cc(C)nc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)n1.

What is the InChIKey of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide?

The InChIKey is XQFXQZXJDHCOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-13-8-17(24)4-5-18(13)20-7-6-19(25)22(28-20)29-23(31)30-11-16(12-30)10-21-26-14(2)9-15(3)27-21/h4-9,16H,10-12,25H2,1-3H3,(H,28,29,31).

What are the key properties of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide?

N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 157484665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).