N-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide

C18H20Cl2N2O3 — CID 71547967

IUPACN-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCC(CCCc1ccc(Cl)c(Cl)c1)NC(=O)c1ccn(C)c(=O)c1O
InChIInChI=1S/C18H20Cl2N2O3/c1-11(4-3-5-12-6-7-14(19)15(20)10-12)21-17(24)13-8-9-22(2)18(25)16(13)23/h6-11,23H,3-5H2,1-2H3,(H,21,24)
InChIKeyZJXLZWIXCPVYQP-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.54
Rot. Bonds6

About N-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide

N-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 71547967) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is N-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID71547967
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC NameN-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCC(CCCc1ccc(Cl)c(Cl)c1)NC(=O)c1ccn(C)c(=O)c1O
InChIInChI=1S/C18H20Cl2N2O3/c1-11(4-3-5-12-6-7-14(19)15(20)10-12)21-17(24)13-8-9-22(2)18(25)16(13)23/h6-11,23H,3-5H2,1-2H3,(H,21,24)
InChIKeyZJXLZWIXCPVYQP-UHFFFAOYSA-N
XLogP3.54
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (CID 71547967) is N-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is CC(CCCc1ccc(Cl)c(Cl)c1)NC(=O)c1ccn(C)c(=O)c1O.
What is the InChIKey of N-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is ZJXLZWIXCPVYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3/c1-11(4-3-5-12-6-7-14(19)15(20)10-12)21-17(24)13-8-9-22(2)18(25)16(13)23/h6-11,23H,3-5H2,1-2H3,(H,21,24).
What are the key properties of N-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
N-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 383.28 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 71547967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).