N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide

C18H13Cl2N3O3 — CID 71883323

IUPACN-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1ccc[nH]c1=O
InChIInChI=1S/C18H13Cl2N3O3/c19-14-5-3-11(8-15(14)20)9-23-10-12(4-6-16(23)24)22-18(26)13-2-1-7-21-17(13)25/h1-8,10H,9H2,(H,21,25)(H,22,26)
InChIKeyLDZAGTXQCNTADV-UHFFFAOYSA-N
MW390.23 g/mol
LogP3.14
Rot. Bonds4

About N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide

N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 71883323) has the molecular formula C18H13Cl2N3O3 and a molecular weight of 390.23 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID71883323
Molecular FormulaC18H13Cl2N3O3
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1ccc[nH]c1=O
InChIInChI=1S/C18H13Cl2N3O3/c19-14-5-3-11(8-15(14)20)9-23-10-12(4-6-16(23)24)22-18(26)13-2-1-7-21-17(13)25/h1-8,10H,9H2,(H,21,25)(H,22,26)
InChIKeyLDZAGTXQCNTADV-UHFFFAOYSA-N
XLogP3.14
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide (CID 71883323) is N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1ccc[nH]c1=O.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LDZAGTXQCNTADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O3/c19-14-5-3-11(8-15(14)20)9-23-10-12(4-6-16(23)24)22-18(26)13-2-1-7-21-17(13)25/h1-8,10H,9H2,(H,21,25)(H,22,26).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 390.23 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71883323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).