4-methyl-N-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-morpholin-4-ylbenzamide

C20H21N5O3 — CID 136557438

IUPAC4-methyl-N-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-morpholin-4-ylbenzamide
SMILESCc1noc(-c2ccc(NC(=O)c3ccc(C)c(N4CCOCC4)c3)cn2)n1
InChIInChI=1S/C20H21N5O3/c1-13-3-4-15(11-18(13)25-7-9-27-10-8-25)19(26)23-16-5-6-17(21-12-16)20-22-14(2)24-28-20/h3-6,11-12H,7-10H2,1-2H3,(H,23,26)
InChIKeyWZGFSHQMFRBEHY-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.84
Rot. Bonds4

About 4-methyl-N-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-morpholin-4-ylbenzamide

4-methyl-N-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-morpholin-4-ylbenzamide (PubChem CID 136557438) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-methyl-N-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-morpholin-4-ylbenzamide
PubChem CID136557438
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-methyl-N-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-morpholin-4-ylbenzamide
SMILESCc1noc(-c2ccc(NC(=O)c3ccc(C)c(N4CCOCC4)c3)cn2)n1
InChIInChI=1S/C20H21N5O3/c1-13-3-4-15(11-18(13)25-7-9-27-10-8-25)19(26)23-16-5-6-17(21-12-16)20-22-14(2)24-28-20/h3-6,11-12H,7-10H2,1-2H3,(H,23,26)
InChIKeyWZGFSHQMFRBEHY-UHFFFAOYSA-N
XLogP2.84
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-morpholin-4-ylbenzamide?
The IUPAC name of 4-methyl-N-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-morpholin-4-ylbenzamide (CID 136557438) is 4-methyl-N-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-morpholin-4-ylbenzamide.
What is the SMILES notation for 4-methyl-N-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-morpholin-4-ylbenzamide?
The canonical SMILES for 4-methyl-N-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-morpholin-4-ylbenzamide is Cc1noc(-c2ccc(NC(=O)c3ccc(C)c(N4CCOCC4)c3)cn2)n1.
What is the InChIKey of 4-methyl-N-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-morpholin-4-ylbenzamide?
The InChIKey is WZGFSHQMFRBEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-3-4-15(11-18(13)25-7-9-27-10-8-25)19(26)23-16-5-6-17(21-12-16)20-22-14(2)24-28-20/h3-6,11-12H,7-10H2,1-2H3,(H,23,26).
What are the key properties of 4-methyl-N-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-morpholin-4-ylbenzamide?
4-methyl-N-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-morpholin-4-ylbenzamide has a molecular weight of 379.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 136557438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).