3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide

C32H34N4O6 — CID 20978769

IUPAC3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide
SMILESO=C(NCc1cccnc1)C(OCc1ccccc1)C(O)C(O)C(OCc1ccccc1)C(=O)NCc1cccnc1
InChIInChI=1S/C32H34N4O6/c37-27(29(41-21-23-9-3-1-4-10-23)31(39)35-19-25-13-7-15-33-17-25)28(38)30(42-22-24-11-5-2-6-12-24)32(40)36-20-26-14-8-16-34-18-26/h1-18,27-30,37-38H,19-22H2,(H,35,39)(H,36,40)
InChIKeyLVWYODBPYQNAOD-UHFFFAOYSA-N
MW570.65 g/mol
LogP2.30
Rot. Bonds15

About 3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide

3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide (PubChem CID 20978769) has the molecular formula C32H34N4O6 and a molecular weight of 570.65 g/mol. Its IUPAC name is 3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide.

Molecular Properties

Compound Name3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide
PubChem CID20978769
Molecular FormulaC32H34N4O6
Molecular Weight570.65 g/mol
Exact Mass570.25
IUPAC Name3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide
SMILESO=C(NCc1cccnc1)C(OCc1ccccc1)C(O)C(O)C(OCc1ccccc1)C(=O)NCc1cccnc1
InChIInChI=1S/C32H34N4O6/c37-27(29(41-21-23-9-3-1-4-10-23)31(39)35-19-25-13-7-15-33-17-25)28(38)30(42-22-24-11-5-2-6-12-24)32(40)36-20-26-14-8-16-34-18-26/h1-18,27-30,37-38H,19-22H2,(H,35,39)(H,36,40)
InChIKeyLVWYODBPYQNAOD-UHFFFAOYSA-N
XLogP2.30
TPSA142.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.65
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352
(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 169192519
(2S,3S,4S,5R)-3,4-dihydroxy-N,N'-bis[(2R)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]-2,5-bis(phenylmethoxy)hexanediamide
CID 46936794
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330
2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 2898433
benzyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]phenyl]methyl]carbamate
CID 71185995
3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride
CID 162386460
benzyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]phenyl]methyl]carbamate;dihydrochloride
CID 89350834
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide?
The IUPAC name of 3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide (CID 20978769) is 3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide.
What is the SMILES notation for 3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide?
The canonical SMILES for 3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide is O=C(NCc1cccnc1)C(OCc1ccccc1)C(O)C(O)C(OCc1ccccc1)C(=O)NCc1cccnc1.
What is the InChIKey of 3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide?
The InChIKey is LVWYODBPYQNAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O6/c37-27(29(41-21-23-9-3-1-4-10-23)31(39)35-19-25-13-7-15-33-17-25)28(38)30(42-22-24-11-5-2-6-12-24)32(40)36-20-26-14-8-16-34-18-26/h1-18,27-30,37-38H,19-22H2,(H,35,39)(H,36,40).
What are the key properties of 3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide?
3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide has a molecular weight of 570.65 g/mol, XLogP of 2.30, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide is sourced from PubChem (CID 20978769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).