2-N,6-N-bis[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]pyridine-2,6-dicarboxamide

C37H35N3O4 — CID 11801463

IUPAC2-N,6-N-bis[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]pyridine-2,6-dicarboxamide
SMILESC[C@H](NC(=O)c1cccc(C(=O)N[C@@H](C)C(O)(c2ccccc2)c2ccccc2)n1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H35N3O4/c1-26(36(43,28-16-7-3-8-17-28)29-18-9-4-10-19-29)38-34(41)32-24-15-25-33(40-32)35(42)39-27(2)37(44,30-20-11-5-12-21-30)31-22-13-6-14-23-31/h3-27,43-44H,1-2H3,(H,38,41)(H,39,42)/t26-,27-/m0/s1
InChIKeyQAPZRUMHMUYMIE-SVBPBHIXSA-N
MW585.70 g/mol
LogP5.19
Rot. Bonds10

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

2-N,6-N-bis[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]pyridine-2,6-dicarboxamide (PubChem CID 11801463) has the molecular formula C37H35N3O4 and a molecular weight of 585.70 g/mol. Its IUPAC name is 2-N,6-N-bis[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]pyridine-2,6-dicarboxamide
PubChem CID11801463
Molecular FormulaC37H35N3O4
Molecular Weight585.70 g/mol
Exact Mass585.26
IUPAC Name2-N,6-N-bis[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]pyridine-2,6-dicarboxamide
SMILESC[C@H](NC(=O)c1cccc(C(=O)N[C@@H](C)C(O)(c2ccccc2)c2ccccc2)n1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H35N3O4/c1-26(36(43,28-16-7-3-8-17-28)29-18-9-4-10-19-29)38-34(41)32-24-15-25-33(40-32)35(42)39-27(2)37(44,30-20-11-5-12-21-30)31-22-13-6-14-23-31/h3-27,43-44H,1-2H3,(H,38,41)(H,39,42)/t26-,27-/m0/s1
InChIKeyQAPZRUMHMUYMIE-SVBPBHIXSA-N
XLogP5.19
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.70
LogP ≤ 55.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Related Compounds

Hydroxyethylamine-based inhibitor 16a
CID 6539267
Hydroxyethylamine-based inhibitor 16b
CID 6539268
Hydroxyethylamine-based inhibitor 17b
CID 6539273
Hydroxyethylamine-based inhibitor 17a
CID 6539274
[(4R,4aS,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-quinolin-2-ylmethanone
CID 54581199
N-[2-[(3S)-3-[[4-hydroxy-4-(6-methylpyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 11466237
Hydroxylethylamine scaffold 96
CID 6539340
2-Cyclopentyl-2-hydroxy-N-[1-(6-methyl-pyridin-2-ylmethyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10573458
6-((1-((R)-1-carboxy-2-phenylethylamino)-4-mercapto-1-oxobutan-2-yl)carbamoyl)picolinic acid
CID 44416876
6-((1-((R)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-mercapto-1-oxobutan-2-yl)carbamoyl)picolinic acid
CID 44417193
N-(7-(7-aminoheptylamino)heptyl)-5-(3-hydroxy-3,3-diphenylpropyl)-4-(3-(hydroxyamino)-3-oxopropyl)-1H-pyrrole-2-carboxamide
CID 46228838
[(4R,4aS,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-quinolin-2-ylmethanone
CID 54580197

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]pyridine-2,6-dicarboxamide (CID 11801463) is 2-N,6-N-bis[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]pyridine-2,6-dicarboxamide is C[C@H](NC(=O)c1cccc(C(=O)N[C@@H](C)C(O)(c2ccccc2)c2ccccc2)n1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-N,6-N-bis[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]pyridine-2,6-dicarboxamide?
The InChIKey is QAPZRUMHMUYMIE-SVBPBHIXSA-N. The full InChI is InChI=1S/C37H35N3O4/c1-26(36(43,28-16-7-3-8-17-28)29-18-9-4-10-19-29)38-34(41)32-24-15-25-33(40-32)35(42)39-27(2)37(44,30-20-11-5-12-21-30)31-22-13-6-14-23-31/h3-27,43-44H,1-2H3,(H,38,41)(H,39,42)/t26-,27-/m0/s1.
What are the key properties of 2-N,6-N-bis[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]pyridine-2,6-dicarboxamide has a molecular weight of 585.70 g/mol, XLogP of 5.19, 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[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 11801463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).