N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C14H12Cl2N2O2 — CID 4796120

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H12Cl2N2O2/c15-11-3-1-9(12(16)7-11)5-6-17-14(20)10-2-4-13(19)18-8-10/h1-4,7-8H,5-6H2,(H,17,20)(H,18,19)
InChIKeyABYYNMFBKRAZGV-UHFFFAOYSA-N
MW311.17 g/mol
LogP2.65
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 4796120) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID4796120
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H12Cl2N2O2/c15-11-3-1-9(12(16)7-11)5-6-17-14(20)10-2-4-13(19)18-8-10/h1-4,7-8H,5-6H2,(H,17,20)(H,18,19)
InChIKeyABYYNMFBKRAZGV-UHFFFAOYSA-N
XLogP2.65
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 81295924
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
N-[2-(2,4-dichlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 46651015
N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 2090847
N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 46650943
N-[2-(2,4-dichlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4857980
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46921250
N-[3-[2-(2,4-dichlorophenyl)ethylamino]-3-oxopropyl]-4-nitrobenzamide
CID 9246410
N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 4796120) is N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ABYYNMFBKRAZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-11-3-1-9(12(16)7-11)5-6-17-14(20)10-2-4-13(19)18-8-10/h1-4,7-8H,5-6H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 311.17 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 4796120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).