N-[(3-methoxyphenyl)methyl]-6-methyl-4-[2-(oxan-3-ylmethyl)tetrazol-5-yl]pyridine-2-carboxamide

C22H26N6O3 — CID 70269104

About N-[(3-methoxyphenyl)methyl]-6-methyl-4-[2-(oxan-3-ylmethyl)tetrazol-5-yl]pyridine-2-carboxamide

N-[(3-methoxyphenyl)methyl]-6-methyl-4-[2-(oxan-3-ylmethyl)tetrazol-5-yl]pyridine-2-carboxamide (PubChem CID 70269104) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6-methyl-4-[2-(oxan-3-ylmethyl)tetrazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-6-methyl-4-[2-(oxan-3-ylmethyl)tetrazol-5-yl]pyridine-2-carboxamide
• PubChem CID: 70269104
• Molecular Formula: C22H26N6O3
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.21
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-6-methyl-4-[2-(oxan-3-ylmethyl)tetrazol-5-yl]pyridine-2-carboxamide
• SMILES: COc1cccc(CNC(=O)c2cc(-c3nnn(CC4CCCOC4)n3)cc(C)n2)c1
• InChI: InChI=1S/C22H26N6O3/c1-15-9-18(21-25-27-28(26-21)13-17-6-4-8-31-14-17)11-20(24-15)22(29)23-12-16-5-3-7-19(10-16)30-2/h3,5,7,9-11,17H,4,6,8,12-14H2,1-2H3,(H,23,29)
• InChIKey: HWUVOZSWYZLBDM-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 104.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-6-methyl-4-[2-(oxan-3-ylmethyl)tetrazol-5-yl]pyridine-2-carboxamide?

The IUPAC name of N-[(3-methoxyphenyl)methyl]-6-methyl-4-[2-(oxan-3-ylmethyl)tetrazol-5-yl]pyridine-2-carboxamide (CID 70269104) is N-[(3-methoxyphenyl)methyl]-6-methyl-4-[2-(oxan-3-ylmethyl)tetrazol-5-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6-methyl-4-[2-(oxan-3-ylmethyl)tetrazol-5-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6-methyl-4-[2-(oxan-3-ylmethyl)tetrazol-5-yl]pyridine-2-carboxamide is COc1cccc(CNC(=O)c2cc(-c3nnn(CC4CCCOC4)n3)cc(C)n2)c1.

What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6-methyl-4-[2-(oxan-3-ylmethyl)tetrazol-5-yl]pyridine-2-carboxamide?

The InChIKey is HWUVOZSWYZLBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-15-9-18(21-25-27-28(26-21)13-17-6-4-8-31-14-17)11-20(24-15)22(29)23-12-16-5-3-7-19(10-16)30-2/h3,5,7,9-11,17H,4,6,8,12-14H2,1-2H3,(H,23,29).

What are the key properties of N-[(3-methoxyphenyl)methyl]-6-methyl-4-[2-(oxan-3-ylmethyl)tetrazol-5-yl]pyridine-2-carboxamide?

N-[(3-methoxyphenyl)methyl]-6-methyl-4-[2-(oxan-3-ylmethyl)tetrazol-5-yl]pyridine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxyphenyl)methyl]-6-methyl-4-[2-(oxan-3-ylmethyl)tetrazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 70269104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).