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

C14H12Cl2N2O3 — CID 1483017

IUPACmethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H12Cl2N2O3/c1-21-14(20)17-9-5-6-13(19)18(7-9)8-10-11(15)3-2-4-12(10)16/h2-7H,8H2,1H3,(H,17,20)
InChIKeyVOARYOHPFVQNSX-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.38
Rot. Bonds3

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

methyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate (PubChem CID 1483017) 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]-6-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate
PubChem CID1483017
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Namemethyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H12Cl2N2O3/c1-21-14(20)17-9-5-6-13(19)18(7-9)8-10-11(15)3-2-4-12(10)16/h2-7H,8H2,1H3,(H,17,20)
InChIKeyVOARYOHPFVQNSX-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate?
The IUPAC name of methyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate (CID 1483017) is methyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate?
The canonical SMILES for methyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate is COC(=O)Nc1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of methyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate?
The InChIKey is VOARYOHPFVQNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-21-14(20)17-9-5-6-13(19)18(7-9)8-10-11(15)3-2-4-12(10)16/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of methyl N-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamate?
methyl N-[1-[(2,6-dichlorophenyl)methyl]-6-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]-6-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 1483017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).