tetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide)

C44H44N4O14 — CID 139122932

IUPACtetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide)
SMILESNC(=O)c1cccnc1.NC(=O)c1cccnc1.O=C(O)[C@H](O)c1ccccc1.O=C(O)[C@H](O)c1ccccc1.O=C(O)[C@H](O)c1ccccc1.O=C(O)[C@H](O)c1ccccc1
InChIInChI=1S/4C8H8O3.2C6H6N2O/c4*9-7(8(10)11)6-4-2-1-3-5-6;2*7-6(9)5-2-1-3-8-4-5/h4*1-5,7,9H,(H,10,11);2*1-4H,(H2,7,9)/t4*7-;;/m1111../s1
InChIKeyAIMNBQZRAOKONW-QYLXSEMXSA-N
MW852.85 g/mol
LogP3.58
Rot. Bonds10

About tetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide)

tetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide) (PubChem CID 139122932) has the molecular formula C44H44N4O14 and a molecular weight of 852.85 g/mol. Its IUPAC name is tetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide).

Molecular Properties

Compound Nametetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide)
PubChem CID139122932
Molecular FormulaC44H44N4O14
Molecular Weight852.85 g/mol
Exact Mass852.29
IUPAC Nametetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide)
SMILESNC(=O)c1cccnc1.NC(=O)c1cccnc1.O=C(O)[C@H](O)c1ccccc1.O=C(O)[C@H](O)c1ccccc1.O=C(O)[C@H](O)c1ccccc1.O=C(O)[C@H](O)c1ccccc1
InChIInChI=1S/4C8H8O3.2C6H6N2O/c4*9-7(8(10)11)6-4-2-1-3-5-6;2*7-6(9)5-2-1-3-8-4-5/h4*1-5,7,9H,(H,10,11);2*1-4H,(H2,7,9)/t4*7-;;/m1111../s1
InChIKeyAIMNBQZRAOKONW-QYLXSEMXSA-N
XLogP3.58
TPSA342.08 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500852.85
LogP ≤ 53.58
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

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Related Compounds

bis[(benzoato-O,O')bis(nicotinamide-N)]copper(II)
CID 139054914
copper;bis(N,N-diethylpyridine-3-carboxamide);dibenzoate
CID 139055182
trans-Diaquabis(3-hydroxybenzoato-kappaO^1^)bis(nicotinamide-kappaN^1^)copper(II)
CID 139060259
(R,R)-(-)-O,O'-Dibenzoyltartaric acid diamide
CID 139063677
dizinc;bis(N,N-diethylpyridine-3-carboxamide);tetrabenzoate
CID 139065170
ZINC;bis(4-hydroxybenzoate);bis(pyridine-3-carboxamide)
CID 139065398
Bis(2-(2-carboxyphenyl)benzoate);hydron;4-pyridin-4-ylpyridine
CID 139066039
Diethanol(2-hydroxy-2,2-diphenylacetato)pyridinecopper(II)
CID 139068807
Bis(mefenamato-kappaO)bis(methanol-kappaO)bis(pyridine-kappaN)copper(II)
CID 139069964
Tetrakis(mu-4-methylbenzoato-kappa^2^O:O')bis[(N,N-diethylnicotinamide-kappaN^1^)zinc(II)]
CID 139078708
Benzoic acid-4-{(1E)-[(E)-2-(pyridin-4-ylmethylidene)hydrazin-1-ylidene]methyl}pyridine (2/1)
CID 139079685
Bis(4-ethylbenzoato-kappaO)bis(nicotinamide-kappaN^1^)zinc(II)
CID 139080764

Frequently Asked Questions

What is the IUPAC name of tetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide)?
The IUPAC name of tetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide) (CID 139122932) is tetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide).
What is the SMILES notation for tetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide)?
The canonical SMILES for tetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide) is NC(=O)c1cccnc1.NC(=O)c1cccnc1.O=C(O)[C@H](O)c1ccccc1.O=C(O)[C@H](O)c1ccccc1.O=C(O)[C@H](O)c1ccccc1.O=C(O)[C@H](O)c1ccccc1.
What is the InChIKey of tetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide)?
The InChIKey is AIMNBQZRAOKONW-QYLXSEMXSA-N. The full InChI is InChI=1S/4C8H8O3.2C6H6N2O/c4*9-7(8(10)11)6-4-2-1-3-5-6;2*7-6(9)5-2-1-3-8-4-5/h4*1-5,7,9H,(H,10,11);2*1-4H,(H2,7,9)/t4*7-;;/m1111../s1.
What are the key properties of tetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide)?
tetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide) has a molecular weight of 852.85 g/mol, XLogP of 3.58, 10 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide) is sourced from PubChem (CID 139122932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).