N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide

C27H24N4O3 — CID 69101909

IUPACN-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)N[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C27H24N4O3/c32-24(19-30-26(33)21-11-5-2-6-12-21)31-25(20-9-3-1-4-10-20)27(34,22-13-7-15-28-17-22)23-14-8-16-29-18-23/h1-18,25,34H,19H2,(H,30,33)(H,31,32)/t25-/m1/s1
InChIKeyJZBLJXSUEYGWHF-RUZDIDTESA-N
MW452.51 g/mol
LogP3.00
Rot. Bonds8

About N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide

N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 69101909) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide
PubChem CID69101909
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC NameN-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)N[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C27H24N4O3/c32-24(19-30-26(33)21-11-5-2-6-12-21)31-25(20-9-3-1-4-10-20)27(34,22-13-7-15-28-17-22)23-14-8-16-29-18-23/h1-18,25,34H,19H2,(H,30,33)(H,31,32)/t25-/m1/s1
InChIKeyJZBLJXSUEYGWHF-RUZDIDTESA-N
XLogP3.00
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide
CID 87216450
N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide
CID 57425636
N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide
CID 77212044
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)acetamide
CID 72986960
2-(ethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol
CID 66962752
N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide
CID 57425638
trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide
CID 66962407
N-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 166223531
4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide
CID 70796512
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108925269
tert-butyl N-[(2S)-1-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-1-oxo-4-phenylbutan-2-yl]carbamate
CID 59706147
2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid
CID 132917045

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide (CID 69101909) is N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)N[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is JZBLJXSUEYGWHF-RUZDIDTESA-N. The full InChI is InChI=1S/C27H24N4O3/c32-24(19-30-26(33)21-11-5-2-6-12-21)31-25(20-9-3-1-4-10-20)27(34,22-13-7-15-28-17-22)23-14-8-16-29-18-23/h1-18,25,34H,19H2,(H,30,33)(H,31,32)/t25-/m1/s1.
What are the key properties of N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide?
N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 452.51 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 69101909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).