4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

C13H17N3O3 — CID 156750138

IUPAC4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
SMILESCC1CC(C(=O)Nc2ccnc(C(N)=O)c2)OC1C
InChIInChI=1S/C13H17N3O3/c1-7-5-11(19-8(7)2)13(18)16-9-3-4-15-10(6-9)12(14)17/h3-4,6-8,11H,5H2,1-2H3,(H2,14,17)(H,15,16,18)
InChIKeyLOHIUUYXRIXHKR-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.93
Rot. Bonds3

About 4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (PubChem CID 156750138) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
PubChem CID156750138
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
SMILESCC1CC(C(=O)Nc2ccnc(C(N)=O)c2)OC1C
InChIInChI=1S/C13H17N3O3/c1-7-5-11(19-8(7)2)13(18)16-9-3-4-15-10(6-9)12(14)17/h3-4,6-8,11H,5H2,1-2H3,(H2,14,17)(H,15,16,18)
InChIKeyLOHIUUYXRIXHKR-UHFFFAOYSA-N
XLogP0.93
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The IUPAC name of 4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (CID 156750138) is 4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is CC1CC(C(=O)Nc2ccnc(C(N)=O)c2)OC1C.
What is the InChIKey of 4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The InChIKey is LOHIUUYXRIXHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-7-5-11(19-8(7)2)13(18)16-9-3-4-15-10(6-9)12(14)17/h3-4,6-8,11H,5H2,1-2H3,(H2,14,17)(H,15,16,18).
What are the key properties of 4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 156750138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).