2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide

C12H9Cl2N3O2 — CID 114917371

IUPAC2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide
SMILESCn1cc(NC(=O)c2cc(Cl)ncc2Cl)ccc1=O
InChIInChI=1S/C12H9Cl2N3O2/c1-17-6-7(2-3-11(17)18)16-12(19)8-4-10(14)15-5-9(8)13/h2-6H,1H3,(H,16,19)
InChIKeyNGXWGILYITWVDY-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.34
Rot. Bonds2

About 2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide

2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 114917371) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide
PubChem CID114917371
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Name2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide
SMILESCn1cc(NC(=O)c2cc(Cl)ncc2Cl)ccc1=O
InChIInChI=1S/C12H9Cl2N3O2/c1-17-6-7(2-3-11(17)18)16-12(19)8-4-10(14)15-5-9(8)13/h2-6H,1H3,(H,16,19)
InChIKeyNGXWGILYITWVDY-UHFFFAOYSA-N
XLogP2.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 110725053
2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
CID 61041355
N-[4-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917802
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917530
6-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
CID 103187156
2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869
2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 114917038
4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 82832923
6-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-2-carboxamide
CID 62234899
4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 80973979
N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917801
2,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 47067429

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide (CID 114917371) is 2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide is Cn1cc(NC(=O)c2cc(Cl)ncc2Cl)ccc1=O.
What is the InChIKey of 2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is NGXWGILYITWVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c1-17-6-7(2-3-11(17)18)16-12(19)8-4-10(14)15-5-9(8)13/h2-6H,1H3,(H,16,19).
What are the key properties of 2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide?
2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 298.13 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 114917371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).