N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

C30H32N6O3 — CID 5003727

About N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 5003727) has the molecular formula C30H32N6O3 and a molecular weight of 524.63 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
• PubChem CID: 5003727
• Molecular Formula: C30H32N6O3
• Molecular Weight: 524.63 g/mol
• Exact Mass: 524.25
• IUPAC Name: N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
• SMILES: CCOc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2ccc(-n3cccn3)nc2)CC1
• InChI: InChI=1S/C30H32N6O3/c1-3-39-26-8-5-4-7-23(26)19-32-29(37)25-11-9-21(2)34-28(25)22-13-17-35(18-14-22)30(38)24-10-12-27(31-20-24)36-16-6-15-33-36/h4-12,15-16,20,22H,3,13-14,17-19H2,1-2H3,(H,32,37)
• InChIKey: LOYBYZAANQCVPF-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 102.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (CID 5003727) is N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is CCOc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2ccc(-n3cccn3)nc2)CC1.

What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?

The InChIKey is LOYBYZAANQCVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O3/c1-3-39-26-8-5-4-7-23(26)19-32-29(37)25-11-9-21(2)34-28(25)22-13-17-35(18-14-22)30(38)24-10-12-27(31-20-24)36-16-6-15-33-36/h4-12,15-16,20,22H,3,13-14,17-19H2,1-2H3,(H,32,37).

What are the key properties of N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?

N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 524.63 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 5003727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).