N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide

C22H23FN6O — CID 159511705

About N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide

N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide (PubChem CID 159511705) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide
• PubChem CID: 159511705
• Molecular Formula: C22H23FN6O
• Molecular Weight: 406.47 g/mol
• Exact Mass: 406.19
• IUPAC Name: N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide
• SMILES: Cc1cnc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)nc1
• InChI: InChI=1S/C22H23FN6O/c1-13-9-25-20(26-10-13)8-15-11-29(12-15)22(30)28-21-18(24)5-6-19(27-21)17-4-3-16(23)7-14(17)2/h3-7,9-10,15H,8,11-12,24H2,1-2H3,(H,27,28,30)
• InChIKey: UHJDVDCPZAQJFT-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 97.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.47
LogP ≤ 5	3.58
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-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide?

The IUPAC name of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide (CID 159511705) is N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide.

What is the SMILES notation for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide?

The canonical SMILES for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide is Cc1cnc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)nc1.

What is the InChIKey of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide?

The InChIKey is UHJDVDCPZAQJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-13-9-25-20(26-10-13)8-15-11-29(12-15)22(30)28-21-18(24)5-6-19(27-21)17-4-3-16(23)7-14(17)2/h3-7,9-10,15H,8,11-12,24H2,1-2H3,(H,27,28,30).

What are the key properties of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide?

N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 3.58, 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-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 159511705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).