methyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate

C14H12Cl2N2O3 — CID 3747718

IUPACmethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C14H12Cl2N2O3/c1-21-14(20)17-12-6-3-7-18(13(12)19)8-9-10(15)4-2-5-11(9)16/h2-7H,8H2,1H3,(H,17,20)
InChIKeyYSOOUMMGPKCFRZ-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.38
Rot. Bonds3

About methyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate

methyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 3747718) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is methyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate
PubChem CID3747718
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Namemethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C14H12Cl2N2O3/c1-21-14(20)17-12-6-3-7-18(13(12)19)8-9-10(15)4-2-5-11(9)16/h2-7H,8H2,1H3,(H,17,20)
InChIKeyYSOOUMMGPKCFRZ-UHFFFAOYSA-N
XLogP3.38
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-((2,4-Dichlorophenyl)methyl)-N-ethyl-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764863
2(1H)-Pyridinone, 3-(((2-chlorophenyl)methyl)amino)-5-ethyl-6-methyl-
CID 454354
N-[1-(2-Chloro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-2-methoxy-acetamide
CID 6488639
N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]acetamide
CID 3828707
2-propynyl N-[1-(2,6-dichlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinyl]carbamate
CID 3842239
2-chloro-N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 4261504
1-[(2,4-Dichlorophenyl)methyl]-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764876
methyl N-[1-(2,6-dichlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinyl]carbamate
CID 1483017
N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 3558437
N-[1-(2-Chloro-6-fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-2-methoxy-acetamide
CID 6488653
N-[1-(2-Chloro-6-fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-butyramide
CID 3231739
N-[(2,4-dichlorophenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890131

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of methyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate (CID 3747718) is methyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for methyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate is COC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O.
What is the InChIKey of methyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is YSOOUMMGPKCFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-21-14(20)17-12-6-3-7-18(13(12)19)8-9-10(15)4-2-5-11(9)16/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of methyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate?
methyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 327.17 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 3747718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).