3-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide

C13H12ClN3O2 — CID 71976291

IUPAC3-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide
SMILESCc1cc(=O)n(C)cc1NC(=O)c1ccncc1Cl
InChIInChI=1S/C13H12ClN3O2/c1-8-5-12(18)17(2)7-11(8)16-13(19)9-3-4-15-6-10(9)14/h3-7H,1-2H3,(H,16,19)
InChIKeyWJGVFTCFWOBTMX-UHFFFAOYSA-N
MW277.71 g/mol
LogP1.99
Rot. Bonds2

About 3-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide

3-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 71976291) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 3-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide
PubChem CID71976291
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name3-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide
SMILESCc1cc(=O)n(C)cc1NC(=O)c1ccncc1Cl
InChIInChI=1S/C13H12ClN3O2/c1-8-5-12(18)17(2)7-11(8)16-13(19)9-3-4-15-6-10(9)14/h3-7H,1-2H3,(H,16,19)
InChIKeyWJGVFTCFWOBTMX-UHFFFAOYSA-N
XLogP1.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide (CID 71976291) is 3-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide is Cc1cc(=O)n(C)cc1NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is WJGVFTCFWOBTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-5-12(18)17(2)7-11(8)16-13(19)9-3-4-15-6-10(9)14/h3-7H,1-2H3,(H,16,19).
What are the key properties of 3-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide?
3-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 277.71 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 71976291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).