2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamic acid

C21H20N2O3 — CID 68535264

IUPAC2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamic acid
SMILESO=C(O)NCCn1cc(C(c2ccccc2)c2ccccc2)ccc1=O
InChIInChI=1S/C21H20N2O3/c24-19-12-11-18(15-23(19)14-13-22-21(25)26)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,20,22H,13-14H2,(H,25,26)
InChIKeyFVIWFIWALVDLOG-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.30
Rot. Bonds6

About 2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamic acid

2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamic acid (PubChem CID 68535264) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamic acid
PubChem CID68535264
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamic acid
SMILESO=C(O)NCCn1cc(C(c2ccccc2)c2ccccc2)ccc1=O
InChIInChI=1S/C21H20N2O3/c24-19-12-11-18(15-23(19)14-13-22-21(25)26)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,20,22H,13-14H2,(H,25,26)
InChIKeyFVIWFIWALVDLOG-UHFFFAOYSA-N
XLogP3.30
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylic acid
CID 68538043
2-[4-[2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamoyl]indol-1-yl]acetic acid
CID 68535352
(2S)-2-[3-[4-(5-benzhydryl-2-oxo-1-pyridinyl)butyl]phenoxy]propanoic acid
CID 59145329
[3-[3-(5-benzhydryl-2-oxo-1-pyridinyl)propyl]phenyl] ethaneperoxoate
CID 87645085
(2S)-2-[3-[3-(5-benzhydryl-2-oxo-1-pyridinyl)propyl]phenoxy]butanoic acid
CID 68536375
ethyl 2-[3-[3-(5-benzhydryl-2-oxo-1-pyridinyl)propylsulfanyl]phenoxy]propanoate
CID 68536298
2-[3-[3-[5-[bis(4-methoxyphenyl)methyl]-2-oxo-1-pyridinyl]propoxy]phenoxy]acetic acid
CID 59145184
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121121241
1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166263
2-(5-amino-2-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 62816679
2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide
CID 7890378
N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide
CID 16679482

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamic acid?
The IUPAC name of 2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamic acid (CID 68535264) is 2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamic acid.
What is the SMILES notation for 2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamic acid?
The canonical SMILES for 2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamic acid is O=C(O)NCCn1cc(C(c2ccccc2)c2ccccc2)ccc1=O.
What is the InChIKey of 2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamic acid?
The InChIKey is FVIWFIWALVDLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-19-12-11-18(15-23(19)14-13-22-21(25)26)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,20,22H,13-14H2,(H,25,26).
What are the key properties of 2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamic acid?
2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamic acid has a molecular weight of 348.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzhydryl-2-oxo-1-pyridinyl)ethylcarbamic acid is sourced from PubChem (CID 68535264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).