4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one

C13H17N3O3 — CID 65361477

IUPAC4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
SMILESCc1cc(C)c(C(=O)N2CCCNC(=O)C2)c(=O)[nH]1
InChIInChI=1S/C13H17N3O3/c1-8-6-9(2)15-12(18)11(8)13(19)16-5-3-4-14-10(17)7-16/h6H,3-5,7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyHPZQDAIIVDNMSZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.05
Rot. Bonds1

About 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one

4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one (PubChem CID 65361477) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
PubChem CID65361477
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
SMILESCc1cc(C)c(C(=O)N2CCCNC(=O)C2)c(=O)[nH]1
InChIInChI=1S/C13H17N3O3/c1-8-6-9(2)15-12(18)11(8)13(19)16-5-3-4-14-10(17)7-16/h6H,3-5,7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyHPZQDAIIVDNMSZ-UHFFFAOYSA-N
XLogP-0.05
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one (CID 65361477) is 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one is Cc1cc(C)c(C(=O)N2CCCNC(=O)C2)c(=O)[nH]1.
What is the InChIKey of 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one?
The InChIKey is HPZQDAIIVDNMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-6-9(2)15-12(18)11(8)13(19)16-5-3-4-14-10(17)7-16/h6H,3-5,7H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one?
4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one has a molecular weight of 263.30 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one is sourced from PubChem (CID 65361477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).