N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

C25H27N7O2 — CID 122487514

About N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 122487514) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
• PubChem CID: 122487514
• Molecular Formula: C25H27N7O2
• Molecular Weight: 457.54 g/mol
• Exact Mass: 457.22
• IUPAC Name: N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
• SMILES: CCOc1ccc(CNC(=O)c2ncc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cc2C)cc1
• InChI: InChI=1S/C25H27N7O2/c1-5-34-20-8-6-18(7-9-20)13-27-25(33)23-15(2)10-19(14-26-23)24-28-16(3)11-21(30-24)29-22-12-17(4)31-32-22/h6-12,14H,5,13H2,1-4H3,(H,27,33)(H2,28,29,30,31,32)
• InChIKey: XRIAOAWOBFARBL-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 117.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.54
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?

The IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 122487514) is N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is CCOc1ccc(CNC(=O)c2ncc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cc2C)cc1.

What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?

The InChIKey is XRIAOAWOBFARBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-5-34-20-8-6-18(7-9-20)13-27-25(33)23-15(2)10-19(14-26-23)24-28-16(3)11-21(30-24)29-22-12-17(4)31-32-22/h6-12,14H,5,13H2,1-4H3,(H,27,33)(H2,28,29,30,31,32).

What are the key properties of N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?

N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 457.54 g/mol, XLogP of 4.26, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122487514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).