2-[[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]amino]-6-methoxypyridine-4-carboxamide

C34H37N3O6 — CID 156818409

About 2-[[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]amino]-6-methoxypyridine-4-carboxamide

2-[[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]amino]-6-methoxypyridine-4-carboxamide (PubChem CID 156818409) has the molecular formula C34H37N3O6 and a molecular weight of 583.69 g/mol. Its IUPAC name is 2-[[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]amino]-6-methoxypyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]amino]-6-methoxypyridine-4-carboxamide
• PubChem CID: 156818409
• Molecular Formula: C34H37N3O6
• Molecular Weight: 583.69 g/mol
• Exact Mass: 583.27
• IUPAC Name: 2-[[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]amino]-6-methoxypyridine-4-carboxamide
• SMILES: COc1cc(C(N)=O)cc(N[C@H]2CO[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)n1
• InChI: InChI=1S/C34H37N3O6/c1-39-31-18-27(34(35)38)17-30(37-31)36-28-22-41-29(23-40-19-24-11-5-2-6-12-24)33(43-21-26-15-9-4-10-16-26)32(28)42-20-25-13-7-3-8-14-25/h2-18,28-29,32-33H,19-23H2,1H3,(H2,35,38)(H,36,37)/t28-,29+,32+,33-/m0/s1
• InChIKey: GHGBNHKTPPOGAE-MLVZTVGHSA-N
• XLogP: 4.76
• TPSA: 114.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.69
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]amino]-6-methoxypyridine-4-carboxamide?

The IUPAC name of 2-[[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]amino]-6-methoxypyridine-4-carboxamide (CID 156818409) is 2-[[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]amino]-6-methoxypyridine-4-carboxamide.

What is the SMILES notation for 2-[[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]amino]-6-methoxypyridine-4-carboxamide?

The canonical SMILES for 2-[[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]amino]-6-methoxypyridine-4-carboxamide is COc1cc(C(N)=O)cc(N[C@H]2CO[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)n1.

What is the InChIKey of 2-[[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]amino]-6-methoxypyridine-4-carboxamide?

The InChIKey is GHGBNHKTPPOGAE-MLVZTVGHSA-N. The full InChI is InChI=1S/C34H37N3O6/c1-39-31-18-27(34(35)38)17-30(37-31)36-28-22-41-29(23-40-19-24-11-5-2-6-12-24)33(43-21-26-15-9-4-10-16-26)32(28)42-20-25-13-7-3-8-14-25/h2-18,28-29,32-33H,19-23H2,1H3,(H2,35,38)(H,36,37)/t28-,29+,32+,33-/m0/s1.

What are the key properties of 2-[[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]amino]-6-methoxypyridine-4-carboxamide?

2-[[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]amino]-6-methoxypyridine-4-carboxamide has a molecular weight of 583.69 g/mol, XLogP of 4.76, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]amino]-6-methoxypyridine-4-carboxamide is sourced from PubChem (CID 156818409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).