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

C13H10Cl2N2O2 — CID 7545432

IUPACN-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H10Cl2N2O2/c14-10-3-1-8(11(15)5-10)6-17-13(19)9-2-4-12(18)16-7-9/h1-5,7H,6H2,(H,16,18)(H,17,19)
InChIKeyCDCNVKLKFKAMTI-UHFFFAOYSA-N
MW297.14 g/mol
LogP2.61
Rot. Bonds3

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

N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 7545432) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID7545432
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H10Cl2N2O2/c14-10-3-1-8(11(15)5-10)6-17-13(19)9-2-4-12(18)16-7-9/h1-5,7H,6H2,(H,16,18)(H,17,19)
InChIKeyCDCNVKLKFKAMTI-UHFFFAOYSA-N
XLogP2.61
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 7545432) is N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CDCNVKLKFKAMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-10-3-1-8(11(15)5-10)6-17-13(19)9-2-4-12(18)16-7-9/h1-5,7H,6H2,(H,16,18)(H,17,19).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 297.14 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 7545432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).