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

C16H14Cl2N2O2 — CID 4679896

IUPACN-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)C1CC1
InChIInChI=1S/C16H14Cl2N2O2/c17-12-3-1-4-13(18)11(12)9-20-8-2-5-14(16(20)22)19-15(21)10-6-7-10/h1-5,8,10H,6-7,9H2,(H,19,21)
InChIKeyAGYHXLOFHRQKSE-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.55
Rot. Bonds4

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

N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 4679896) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropanecarboxamide
PubChem CID4679896
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)C1CC1
InChIInChI=1S/C16H14Cl2N2O2/c17-12-3-1-4-13(18)11(12)9-20-8-2-5-14(16(20)22)19-15(21)10-6-7-10/h1-5,8,10H,6-7,9H2,(H,19,21)
InChIKeyAGYHXLOFHRQKSE-UHFFFAOYSA-N
XLogP3.55
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 3554910
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
N-(2,4-Dichloro-benzyl)-6-hydroxy-nicotinamide
CID 7545432
1-[(2,4-Dichlorophenyl)methyl]-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764876
1-Benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 1450078
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropanecarboxamide (CID 4679896) is N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)C1CC1.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is AGYHXLOFHRQKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c17-12-3-1-4-13(18)11(12)9-20-8-2-5-14(16(20)22)19-15(21)10-6-7-10/h1-5,8,10H,6-7,9H2,(H,19,21).
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropanecarboxamide?
N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 337.21 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 4679896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).