N-[(2-methoxy-3-methylphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide

C24H27N5O3 — CID 167375011

About N-[(2-methoxy-3-methylphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide

N-[(2-methoxy-3-methylphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 167375011) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(2-methoxy-3-methylphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2-methoxy-3-methylphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
• PubChem CID: 167375011
• Molecular Formula: C24H27N5O3
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.21
• IUPAC Name: N-[(2-methoxy-3-methylphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
• SMILES: COc1c(C)cccc1CNC(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
• InChI: InChI=1S/C24H27N5O3/c1-16-4-3-5-19(22(16)32-2)15-26-23(30)18-8-12-29(13-9-18)24(31)21-14-20(27-28-21)17-6-10-25-11-7-17/h3-7,10-11,14,18H,8-9,12-13,15H2,1-2H3,(H,26,30)(H,27,28)
• InChIKey: ICXOXHMJHFLXDM-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-methylphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?

The IUPAC name of N-[(2-methoxy-3-methylphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (CID 167375011) is N-[(2-methoxy-3-methylphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.

What is the SMILES notation for N-[(2-methoxy-3-methylphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?

The canonical SMILES for N-[(2-methoxy-3-methylphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is COc1c(C)cccc1CNC(=O)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1.

What is the InChIKey of N-[(2-methoxy-3-methylphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?

The InChIKey is ICXOXHMJHFLXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16-4-3-5-19(22(16)32-2)15-26-23(30)18-8-12-29(13-9-18)24(31)21-14-20(27-28-21)17-6-10-25-11-7-17/h3-7,10-11,14,18H,8-9,12-13,15H2,1-2H3,(H,26,30)(H,27,28).

What are the key properties of N-[(2-methoxy-3-methylphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?

N-[(2-methoxy-3-methylphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxy-3-methylphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 167375011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).