N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide

C25H29N5O2 — CID 110248020

About N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide

N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide (PubChem CID 110248020) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
• PubChem CID: 110248020
• Molecular Formula: C25H29N5O2
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.23
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
• SMILES: COc1cccc(CNC(=O)c2cnc(C3CCCN(Cc4ccccn4)C3)nc2C)c1
• InChI: InChI=1S/C25H29N5O2/c1-18-23(25(31)28-14-19-7-5-10-22(13-19)32-2)15-27-24(29-18)20-8-6-12-30(16-20)17-21-9-3-4-11-26-21/h3-5,7,9-11,13,15,20H,6,8,12,14,16-17H2,1-2H3,(H,28,31)
• InChIKey: RJEHJEBZAUCDKG-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide?

The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide (CID 110248020) is N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide?

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide is COc1cccc(CNC(=O)c2cnc(C3CCCN(Cc4ccccn4)C3)nc2C)c1.

What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide?

The InChIKey is RJEHJEBZAUCDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-18-23(25(31)28-14-19-7-5-10-22(13-19)32-2)15-27-24(29-18)20-8-6-12-30(16-20)17-21-9-3-4-11-26-21/h3-5,7,9-11,13,15,20H,6,8,12,14,16-17H2,1-2H3,(H,28,31).

What are the key properties of N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide?

N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110248020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).