4-[2-[[(2S)-5-(2-hydroxypropan-2-yl)-5-methyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide

C25H32N6O5 — CID 143754289

About 4-[2-[[(2S)-5-(2-hydroxypropan-2-yl)-5-methyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide

4-[2-[[(2S)-5-(2-hydroxypropan-2-yl)-5-methyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide (PubChem CID 143754289) has the molecular formula C25H32N6O5 and a molecular weight of 496.57 g/mol. Its IUPAC name is 4-[2-[[(2S)-5-(2-hydroxypropan-2-yl)-5-methyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[2-[[(2S)-5-(2-hydroxypropan-2-yl)-5-methyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
• PubChem CID: 143754289
• Molecular Formula: C25H32N6O5
• Molecular Weight: 496.57 g/mol
• Exact Mass: 496.24
• IUPAC Name: 4-[2-[[(2S)-5-(2-hydroxypropan-2-yl)-5-methyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
• SMILES: COc1cccc(CNC(=O)c2cc(-c3nnn(C[C@H]4COC(C)(C(C)(C)O)CO4)n3)cc(C)n2)c1
• InChI: InChI=1S/C25H32N6O5/c1-16-9-18(11-21(27-16)23(32)26-12-17-7-6-8-19(10-17)34-5)22-28-30-31(29-22)13-20-14-36-25(4,15-35-20)24(2,3)33/h6-11,20,33H,12-15H2,1-5H3,(H,26,32)/t20-,25?/m0/s1
• InChIKey: LTPXISYPXJLVJV-JINQPTGOSA-N
• XLogP: 1.93
• TPSA: 133.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.57
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2S)-5-(2-hydroxypropan-2-yl)-5-methyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?

The IUPAC name of 4-[2-[[(2S)-5-(2-hydroxypropan-2-yl)-5-methyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide (CID 143754289) is 4-[2-[[(2S)-5-(2-hydroxypropan-2-yl)-5-methyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide.

What is the SMILES notation for 4-[2-[[(2S)-5-(2-hydroxypropan-2-yl)-5-methyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?

The canonical SMILES for 4-[2-[[(2S)-5-(2-hydroxypropan-2-yl)-5-methyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide is COc1cccc(CNC(=O)c2cc(-c3nnn(C[C@H]4COC(C)(C(C)(C)O)CO4)n3)cc(C)n2)c1.

What is the InChIKey of 4-[2-[[(2S)-5-(2-hydroxypropan-2-yl)-5-methyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?

The InChIKey is LTPXISYPXJLVJV-JINQPTGOSA-N. The full InChI is InChI=1S/C25H32N6O5/c1-16-9-18(11-21(27-16)23(32)26-12-17-7-6-8-19(10-17)34-5)22-28-30-31(29-22)13-20-14-36-25(4,15-35-20)24(2,3)33/h6-11,20,33H,12-15H2,1-5H3,(H,26,32)/t20-,25?/m0/s1.

What are the key properties of 4-[2-[[(2S)-5-(2-hydroxypropan-2-yl)-5-methyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?

4-[2-[[(2S)-5-(2-hydroxypropan-2-yl)-5-methyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[(2S)-5-(2-hydroxypropan-2-yl)-5-methyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 143754289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).