1-butyl-5-(2,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide

C24H24Cl2N2O2 — CID 23587798

IUPAC1-butyl-5-(2,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCCCCn1cc(-c2ccc(Cl)cc2Cl)cc(C(=O)NCCc2ccccc2)c1=O
InChIInChI=1S/C24H24Cl2N2O2/c1-2-3-13-28-16-18(20-10-9-19(25)15-22(20)26)14-21(24(28)30)23(29)27-12-11-17-7-5-4-6-8-17/h4-10,14-16H,2-3,11-13H2,1H3,(H,27,29)
InChIKeyDRUNRRBGWACQRH-UHFFFAOYSA-N
MW443.37 g/mol
LogP5.59
Rot. Bonds8

About 1-butyl-5-(2,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide

1-butyl-5-(2,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 23587798) has the molecular formula C24H24Cl2N2O2 and a molecular weight of 443.37 g/mol. Its IUPAC name is 1-butyl-5-(2,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-5-(2,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID23587798
Molecular FormulaC24H24Cl2N2O2
Molecular Weight443.37 g/mol
Exact Mass442.12
IUPAC Name1-butyl-5-(2,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCCCCn1cc(-c2ccc(Cl)cc2Cl)cc(C(=O)NCCc2ccccc2)c1=O
InChIInChI=1S/C24H24Cl2N2O2/c1-2-3-13-28-16-18(20-10-9-19(25)15-22(20)26)14-21(24(28)30)23(29)27-12-11-17-7-5-4-6-8-17/h4-10,14-16H,2-3,11-13H2,1H3,(H,27,29)
InChIKeyDRUNRRBGWACQRH-UHFFFAOYSA-N
XLogP5.59
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.37
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-butyl-5-(2-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 10293778
2-butoxy-5-chloro-N-(2-phenylethyl)benzamide
CID 123526498
1-butyl-5-ethyl-2-oxo-N-(2-phenylethyl)-6-propylpyridine-3-carboxamide
CID 23587815
1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 23587792
1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 23587807
3-(2,4-difluorophenyl)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 95900693
5-chloro-2-hydroxy-N-[2-(4-phenylphenyl)ethyl]benzamide
CID 90932345
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide
CID 59363153
5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 16651429
1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 142275684

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(2,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 1-butyl-5-(2,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide (CID 23587798) is 1-butyl-5-(2,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-5-(2,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-butyl-5-(2,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide is CCCCn1cc(-c2ccc(Cl)cc2Cl)cc(C(=O)NCCc2ccccc2)c1=O.
What is the InChIKey of 1-butyl-5-(2,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is DRUNRRBGWACQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O2/c1-2-3-13-28-16-18(20-10-9-19(25)15-22(20)26)14-21(24(28)30)23(29)27-12-11-17-7-5-4-6-8-17/h4-10,14-16H,2-3,11-13H2,1H3,(H,27,29).
What are the key properties of 1-butyl-5-(2,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide?
1-butyl-5-(2,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 443.37 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(2,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 23587798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).