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

C16H16Cl2N2O3 — CID 90342616

IUPACN-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c(O)c1=O
InChIInChI=1S/C16H16Cl2N2O3/c1-20-8-6-11(14(21)16(20)23)15(22)19-7-2-3-10-4-5-12(17)13(18)9-10/h4-6,8-9,21H,2-3,7H2,1H3,(H,19,22)
InChIKeyBLOUPYAWOJLXAX-UHFFFAOYSA-N
MW355.22 g/mol
LogP2.76
Rot. Bonds5

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

N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 90342616) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID90342616
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC NameN-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c(O)c1=O
InChIInChI=1S/C16H16Cl2N2O3/c1-20-8-6-11(14(21)16(20)23)15(22)19-7-2-3-10-4-5-12(17)13(18)9-10/h4-6,8-9,21H,2-3,7H2,1H3,(H,19,22)
InChIKeyBLOUPYAWOJLXAX-UHFFFAOYSA-N
XLogP2.76
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (CID 90342616) is N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c(O)c1=O.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is BLOUPYAWOJLXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-20-8-6-11(14(21)16(20)23)15(22)19-7-2-3-10-4-5-12(17)13(18)9-10/h4-6,8-9,21H,2-3,7H2,1H3,(H,19,22).
What are the key properties of N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 355.22 g/mol, XLogP of 2.76, 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]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 90342616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).