N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide

C18H20Cl2N2O3 — CID 71547881

IUPACN-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide
SMILESCc1c(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c(O)c(=O)n(C)c1C
InChIInChI=1S/C18H20Cl2N2O3/c1-10-11(2)22(3)18(25)16(23)15(10)17(24)21-8-4-5-12-6-7-13(19)14(20)9-12/h6-7,9,23H,4-5,8H2,1-3H3,(H,21,24)
InChIKeySPKNURWDXATIRN-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.38
Rot. Bonds5

About N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide

N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide (PubChem CID 71547881) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide
PubChem CID71547881
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC NameN-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide
SMILESCc1c(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c(O)c(=O)n(C)c1C
InChIInChI=1S/C18H20Cl2N2O3/c1-10-11(2)22(3)18(25)16(23)15(10)17(24)21-8-4-5-12-6-7-13(19)14(20)9-12/h6-7,9,23H,4-5,8H2,1-3H3,(H,21,24)
InChIKeySPKNURWDXATIRN-UHFFFAOYSA-N
XLogP3.38
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide
CID 89478174
6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-8-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 90355573
N-[3-(3,4-dichlorophenyl)propyl]-6-(4-fluorophenyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-6-(3-methylphenyl)-2-oxopyridine-4-carboxamide)
CID 158851843
N-[3-(3,4-dichlorophenyl)propyl]-1-methyl-3-(methylamino)-2-oxoquinoline-4-carboxamide
CID 89491205
N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 71547310
[4-[3-(3,4-dichlorophenyl)propylcarbamoyl]-1-methyl-2-oxoquinolin-3-yl] trifluoromethanesulfonate
CID 90355540
N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60583878
1-[2-[acetyl(methyl)amino]ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 118014439
2-(2-chlorophenyl)-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 89489304
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 90306327
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2-propyl-1,2-dihydropyrrole-3-carboxamide
CID 118457366
N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide
CID 90342535

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide (CID 71547881) is N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide is Cc1c(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c(O)c(=O)n(C)c1C.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide?
The InChIKey is SPKNURWDXATIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3/c1-10-11(2)22(3)18(25)16(23)15(10)17(24)21-8-4-5-12-6-7-13(19)14(20)9-12/h6-7,9,23H,4-5,8H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide?
N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide has a molecular weight of 383.28 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide is sourced from PubChem (CID 71547881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).