2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide

C35H31N3O4 — CID 171379474

IUPAC2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide
SMILESO=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1cccc(C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)n1
InChIInChI=1S/C35H31N3O4/c39-32(26-18-9-3-10-19-26)30(24-14-5-1-6-15-24)37-34(41)28-22-13-23-29(36-28)35(42)38-31(25-16-7-2-8-17-25)33(40)27-20-11-4-12-21-27/h1-23,30-33,39-40H,(H,37,41)(H,38,42)/t30-,31-,32+,33+/m0/s1
InChIKeyUCXZYZIJIGAQHP-UYEZAFAQSA-N
MW557.65 g/mol
LogP5.49
Rot. Bonds10

About 2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide (PubChem CID 171379474) has the molecular formula C35H31N3O4 and a molecular weight of 557.65 g/mol. Its IUPAC name is 2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide
PubChem CID171379474
Molecular FormulaC35H31N3O4
Molecular Weight557.65 g/mol
Exact Mass557.23
IUPAC Name2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide
SMILESO=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1cccc(C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)n1
InChIInChI=1S/C35H31N3O4/c39-32(26-18-9-3-10-19-26)30(24-14-5-1-6-15-24)37-34(41)28-22-13-23-29(36-28)35(42)38-31(25-16-7-2-8-17-25)33(40)27-20-11-4-12-21-27/h1-23,30-33,39-40H,(H,37,41)(H,38,42)/t30-,31-,32+,33+/m0/s1
InChIKeyUCXZYZIJIGAQHP-UYEZAFAQSA-N
XLogP5.49
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.65
LogP ≤ 55.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide
CID 166340444
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
[(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea
CID 11097193
N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide
CID 154759427
6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 62304057
N-[(1S,2S)-2-amino-1,2-diphenylethyl]pyridine-2-carboxamide
CID 102488759
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 30071507
6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide
CID 103874025
N-[(1R,2S,3R)-3-hydroxy-2-methyl-1,3-diphenylpropyl]benzamide
CID 134903315
2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide
CID 66966775
2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide
CID 22457897
N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 59160033

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide (CID 171379474) is 2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide is O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1cccc(C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)n1.
What is the InChIKey of 2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide?
The InChIKey is UCXZYZIJIGAQHP-UYEZAFAQSA-N. The full InChI is InChI=1S/C35H31N3O4/c39-32(26-18-9-3-10-19-26)30(24-14-5-1-6-15-24)37-34(41)28-22-13-23-29(36-28)35(42)38-31(25-16-7-2-8-17-25)33(40)27-20-11-4-12-21-27/h1-23,30-33,39-40H,(H,37,41)(H,38,42)/t30-,31-,32+,33+/m0/s1.
What are the key properties of 2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide has a molecular weight of 557.65 g/mol, XLogP of 5.49, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 171379474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).