4-[5-(2,2-diethyl-4-oxo-1,3-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridine-2-carboxamide

C22H23N5O3 — CID 156522272

IUPAC4-[5-(2,2-diethyl-4-oxo-1,3-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridine-2-carboxamide
SMILESCCC1(CC)CC(=O)c2cc(-c3nc(-c4ccnc(C(=O)NC)c4)no3)ccc2N1
InChIInChI=1S/C22H23N5O3/c1-4-22(5-2)12-18(28)15-10-14(6-7-16(15)26-22)21-25-19(27-30-21)13-8-9-24-17(11-13)20(29)23-3/h6-11,26H,4-5,12H2,1-3H3,(H,23,29)
InChIKeyLNMVFDOFZXYQJF-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.72
Rot. Bonds5

About 4-[5-(2,2-diethyl-4-oxo-1,3-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridine-2-carboxamide

4-[5-(2,2-diethyl-4-oxo-1,3-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridine-2-carboxamide (PubChem CID 156522272) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 4-[5-(2,2-diethyl-4-oxo-1,3-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-(2,2-diethyl-4-oxo-1,3-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridine-2-carboxamide
PubChem CID156522272
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name4-[5-(2,2-diethyl-4-oxo-1,3-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridine-2-carboxamide
SMILESCCC1(CC)CC(=O)c2cc(-c3nc(-c4ccnc(C(=O)NC)c4)no3)ccc2N1
InChIInChI=1S/C22H23N5O3/c1-4-22(5-2)12-18(28)15-10-14(6-7-16(15)26-22)21-25-19(27-30-21)13-8-9-24-17(11-13)20(29)23-3/h6-11,26H,4-5,12H2,1-3H3,(H,23,29)
InChIKeyLNMVFDOFZXYQJF-UHFFFAOYSA-N
XLogP3.72
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,2-diethyl-4-oxo-1,3-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[5-(2,2-diethyl-4-oxo-1,3-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridine-2-carboxamide (CID 156522272) is 4-[5-(2,2-diethyl-4-oxo-1,3-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[5-(2,2-diethyl-4-oxo-1,3-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[5-(2,2-diethyl-4-oxo-1,3-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridine-2-carboxamide is CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccnc(C(=O)NC)c4)no3)ccc2N1.
What is the InChIKey of 4-[5-(2,2-diethyl-4-oxo-1,3-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is LNMVFDOFZXYQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-4-22(5-2)12-18(28)15-10-14(6-7-16(15)26-22)21-25-19(27-30-21)13-8-9-24-17(11-13)20(29)23-3/h6-11,26H,4-5,12H2,1-3H3,(H,23,29).
What are the key properties of 4-[5-(2,2-diethyl-4-oxo-1,3-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridine-2-carboxamide?
4-[5-(2,2-diethyl-4-oxo-1,3-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,2-diethyl-4-oxo-1,3-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 156522272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).