4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide

C19H24N4O2 — CID 42644018

IUPAC4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide
SMILESCc1nnc(C2=CCN(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)o1
InChIInChI=1S/C19H24N4O2/c1-13-20-21-18(25-13)15-9-11-23(12-10-15)22-17(24)14-5-7-16(8-6-14)19(2,3)4/h5-9H,10-12H2,1-4H3,(H,22,24)
InChIKeyZMEPKQIFWFXWDL-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.11
Rot. Bonds3

About 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide

4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide (PubChem CID 42644018) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide
PubChem CID42644018
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide
SMILESCc1nnc(C2=CCN(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)o1
InChIInChI=1S/C19H24N4O2/c1-13-20-21-18(25-13)15-9-11-23(12-10-15)22-17(24)14-5-7-16(8-6-14)19(2,3)4/h5-9H,10-12H2,1-4H3,(H,22,24)
InChIKeyZMEPKQIFWFXWDL-UHFFFAOYSA-N
XLogP3.11
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide (CID 42644018) is 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide is Cc1nnc(C2=CCN(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)o1.
What is the InChIKey of 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide?
The InChIKey is ZMEPKQIFWFXWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-20-21-18(25-13)15-9-11-23(12-10-15)22-17(24)14-5-7-16(8-6-14)19(2,3)4/h5-9H,10-12H2,1-4H3,(H,22,24).
What are the key properties of 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide?
4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide has a molecular weight of 340.43 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide is sourced from PubChem (CID 42644018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).