5,6-dimethyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide

C14H19N3O3 — CID 70723092

IUPAC5,6-dimethyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCNC2=O)c(=O)[nH]c1C
InChIInChI=1S/C14H19N3O3/c1-8-7-10(12(18)16-9(8)2)13(19)17-11-5-3-4-6-15-14(11)20/h7,11H,3-6H2,1-2H3,(H,15,20)(H,16,18)(H,17,19)
InChIKeyUYGGAQZYLDJRIU-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.39
Rot. Bonds2

About 5,6-dimethyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide

5,6-dimethyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide (PubChem CID 70723092) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5,6-dimethyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide
PubChem CID70723092
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5,6-dimethyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCNC2=O)c(=O)[nH]c1C
InChIInChI=1S/C14H19N3O3/c1-8-7-10(12(18)16-9(8)2)13(19)17-11-5-3-4-6-15-14(11)20/h7,11H,3-6H2,1-2H3,(H,15,20)(H,16,18)(H,17,19)
InChIKeyUYGGAQZYLDJRIU-UHFFFAOYSA-N
XLogP0.39
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5,6-dimethyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide (CID 70723092) is 5,6-dimethyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dimethyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5,6-dimethyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide is Cc1cc(C(=O)NC2CCCCNC2=O)c(=O)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide?
The InChIKey is UYGGAQZYLDJRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-7-10(12(18)16-9(8)2)13(19)17-11-5-3-4-6-15-14(11)20/h7,11H,3-6H2,1-2H3,(H,15,20)(H,16,18)(H,17,19).
What are the key properties of 5,6-dimethyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide?
5,6-dimethyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70723092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).