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

C16H12Cl2N2O3 — CID 3780188

IUPACprop-2-ynyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate
SMILESC#CCOC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C16H12Cl2N2O3/c1-2-9-23-16(22)19-14-7-4-8-20(15(14)21)10-11-12(17)5-3-6-13(11)18/h1,3-8H,9-10H2,(H,19,22)
InChIKeyYRAVFLAENLHVOW-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.39
Rot. Bonds4

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

prop-2-ynyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 3780188) has the molecular formula C16H12Cl2N2O3 and a molecular weight of 351.19 g/mol. Its IUPAC name is prop-2-ynyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate
PubChem CID3780188
Molecular FormulaC16H12Cl2N2O3
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC Nameprop-2-ynyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate
SMILESC#CCOC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C16H12Cl2N2O3/c1-2-9-23-16(22)19-14-7-4-8-20(15(14)21)10-11-12(17)5-3-6-13(11)18/h1,3-8H,9-10H2,(H,19,22)
InChIKeyYRAVFLAENLHVOW-UHFFFAOYSA-N
XLogP3.39
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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
methyl N-[1-(2,6-dichlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinyl]carbamate
CID 1483017
methyl N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]carbamate
CID 3747718
N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]cyclopropanecarboxamide
CID 4679896
ethyl N-[1-(2,6-dichlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinyl]carbamate
CID 3848695
2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 127028741
N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]-2,2,2-trifluoroacetamide
CID 4594130
2,2,2-trichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-(trifluoromethyl)pyridin-3-yl]acetamide
CID 3842201
N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]-3-methylbutanamide
CID 3409311
N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]pentanamide
CID 3809782

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of prop-2-ynyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate (CID 3780188) is prop-2-ynyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for prop-2-ynyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for prop-2-ynyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate is C#CCOC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O.
What is the InChIKey of prop-2-ynyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is YRAVFLAENLHVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3/c1-2-9-23-16(22)19-14-7-4-8-20(15(14)21)10-11-12(17)5-3-6-13(11)18/h1,3-8H,9-10H2,(H,19,22).
What are the key properties of prop-2-ynyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate?
prop-2-ynyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 351.19 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 3780188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).