N-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide

C17H18Cl2N2O3 — CID 45487786

IUPACN-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1=O
InChIInChI=1S/C17H18Cl2N2O3/c1-2-24-8-7-21-11-13(4-6-16(21)22)17(23)20-10-12-3-5-14(18)9-15(12)19/h3-6,9,11H,2,7-8,10H2,1H3,(H,20,23)
InChIKeyNAWKKCKJNQCCAO-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.12
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide

N-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide (PubChem CID 45487786) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
PubChem CID45487786
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1=O
InChIInChI=1S/C17H18Cl2N2O3/c1-2-24-8-7-21-11-13(4-6-16(21)22)17(23)20-10-12-3-5-14(18)9-15(12)19/h3-6,9,11H,2,7-8,10H2,1H3,(H,20,23)
InChIKeyNAWKKCKJNQCCAO-UHFFFAOYSA-N
XLogP3.12
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
CID 178166100
1-(2-ethoxyethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166177
1-(2-ethoxyethyl)-6-oxo-N-[[1-(2-phenylethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 178166149
1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8697710
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 26217336
N-[2-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 47062519
N-[(2-chloro-4-iodophenyl)methyl]-1-[(4-methylsulfonylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 143531099
N-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 17436689
methyl 5-chloro-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylate
CID 178166126
1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide
CID 178166229
5-[3-(4-chloro-2-methylphenyl)-3-(4-methylsulfonylphenyl)propanoyl]-1-(2-ethoxyethyl)pyridin-2-one
CID 66666839

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide (CID 45487786) is N-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide is CCOCCn1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1=O.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide?
The InChIKey is NAWKKCKJNQCCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-2-24-8-7-21-11-13(4-6-16(21)22)17(23)20-10-12-3-5-14(18)9-15(12)19/h3-6,9,11H,2,7-8,10H2,1H3,(H,20,23).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide has a molecular weight of 369.25 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 45487786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).