benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate

C20H18N2O3 — CID 22405456

IUPACbenzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate
SMILESCc1[nH]c(=O)c(NC(=O)OCc2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C20H18N2O3/c1-14-17(16-10-6-3-7-11-16)12-18(19(23)21-14)22-20(24)25-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyGIZSXFFTXSJJQN-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.10
Rot. Bonds4

About benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate

benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate (PubChem CID 22405456) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate
PubChem CID22405456
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Namebenzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate
SMILESCc1[nH]c(=O)c(NC(=O)OCc2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C20H18N2O3/c1-14-17(16-10-6-3-7-11-16)12-18(19(23)21-14)22-20(24)25-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyGIZSXFFTXSJJQN-UHFFFAOYSA-N
XLogP4.10
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate
CID 11161253
benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate
CID 10044624
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034
5-methyl-2-(phenylmethoxycarbonylamino)-1H-pyrrole-3-carboxylic acid
CID 167716374
ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate
CID 10596732
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate
CID 68788358
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-[2-(2-aminophenyl)phenyl]carbamate
CID 68787776

Frequently Asked Questions

What is the IUPAC name of benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate?
The IUPAC name of benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate (CID 22405456) is benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate?
The canonical SMILES for benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate is Cc1[nH]c(=O)c(NC(=O)OCc2ccccc2)cc1-c1ccccc1.
What is the InChIKey of benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate?
The InChIKey is GIZSXFFTXSJJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-14-17(16-10-6-3-7-11-16)12-18(19(23)21-14)22-20(24)25-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate?
benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate has a molecular weight of 334.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate is sourced from PubChem (CID 22405456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).