N-pyridin-3-yl-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide

C24H24N2O7 — CID 71074473

IUPACN-pyridin-3-yl-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide
SMILESO=C(Nc1cccnc1)c1cccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cc2)c1
InChIInChI=1S/C24H24N2O7/c27-13-19-20(28)21(29)22(30)24(33-19)32-18-8-6-14(7-9-18)15-3-1-4-16(11-15)23(31)26-17-5-2-10-25-12-17/h1-12,19-22,24,27-30H,13H2,(H,26,31)/t19-,20-,21-,22-,24+/m1/s1
InChIKeySNCFAAHGWKFPQD-MOGNJTFLSA-N
MW452.46 g/mol
LogP1.18
Rot. Bonds6

About N-pyridin-3-yl-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide

N-pyridin-3-yl-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide (PubChem CID 71074473) has the molecular formula C24H24N2O7 and a molecular weight of 452.46 g/mol. Its IUPAC name is N-pyridin-3-yl-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide.

Molecular Properties

Compound NameN-pyridin-3-yl-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide
PubChem CID71074473
Molecular FormulaC24H24N2O7
Molecular Weight452.46 g/mol
Exact Mass452.16
IUPAC NameN-pyridin-3-yl-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide
SMILESO=C(Nc1cccnc1)c1cccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cc2)c1
InChIInChI=1S/C24H24N2O7/c27-13-19-20(28)21(29)22(30)24(33-19)32-18-8-6-14(7-9-18)15-3-1-4-16(11-15)23(31)26-17-5-2-10-25-12-17/h1-12,19-22,24,27-30H,13H2,(H,26,31)/t19-,20-,21-,22-,24+/m1/s1
InChIKeySNCFAAHGWKFPQD-MOGNJTFLSA-N
XLogP1.18
TPSA141.37 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 51.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-N-[2-[[3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoyl]amino]ethyl]benzamide
CID 71074312
N-(2-hydroxyethyl)-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide
CID 71074179
N-[3-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide
CID 123200821
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
(3S,6R)-2-(hydroxymethyl)-6-[4-[4-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]oxane-3,4,5-triol
CID 134423364
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(4-quinazolin-6-ylphenoxy)oxane-3,4,5-triol
CID 57414137
2-(hydroxymethyl)-6-(4-quinazolin-6-ylphenoxy)oxane-3,4,5-triol
CID 71099175
dimethyl 5-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzene-1,3-dicarboxylate
CID 46838770
3-[3-ethyl-4-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-N-methylbenzamide
CID 134423115
3-[3-chloro-4-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-N-methylbenzamide
CID 71074061
3-[3-chloro-4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-N-methylbenzamide
CID 71074366
2-(hydroxymethyl)-6-[4-[3-(trifluoromethyl)phenyl]phenoxy]oxane-3,4,5-triol
CID 56681453

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide?
The IUPAC name of N-pyridin-3-yl-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide (CID 71074473) is N-pyridin-3-yl-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide.
What is the SMILES notation for N-pyridin-3-yl-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide?
The canonical SMILES for N-pyridin-3-yl-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide is O=C(Nc1cccnc1)c1cccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cc2)c1.
What is the InChIKey of N-pyridin-3-yl-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide?
The InChIKey is SNCFAAHGWKFPQD-MOGNJTFLSA-N. The full InChI is InChI=1S/C24H24N2O7/c27-13-19-20(28)21(29)22(30)24(33-19)32-18-8-6-14(7-9-18)15-3-1-4-16(11-15)23(31)26-17-5-2-10-25-12-17/h1-12,19-22,24,27-30H,13H2,(H,26,31)/t19-,20-,21-,22-,24+/m1/s1.
What are the key properties of N-pyridin-3-yl-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide?
N-pyridin-3-yl-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide has a molecular weight of 452.46 g/mol, XLogP of 1.18, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide is sourced from PubChem (CID 71074473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).