3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide

C21H19N5O3 — CID 118783123

IUPAC3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide
SMILESCOc1nccc(-c2cccc(C(=O)N(C)Cc3noc(C4CC4)n3)c2)c1C#N
InChIInChI=1S/C21H19N5O3/c1-26(12-18-24-19(29-25-18)13-6-7-13)21(27)15-5-3-4-14(10-15)16-8-9-23-20(28-2)17(16)11-22/h3-5,8-10,13H,6-7,12H2,1-2H3
InChIKeyUBQHLOXQLCICIW-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.16
Rot. Bonds6

About 3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide

3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide (PubChem CID 118783123) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide
PubChem CID118783123
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide
SMILESCOc1nccc(-c2cccc(C(=O)N(C)Cc3noc(C4CC4)n3)c2)c1C#N
InChIInChI=1S/C21H19N5O3/c1-26(12-18-24-19(29-25-18)13-6-7-13)21(27)15-5-3-4-14(10-15)16-8-9-23-20(28-2)17(16)11-22/h3-5,8-10,13H,6-7,12H2,1-2H3
InChIKeyUBQHLOXQLCICIW-UHFFFAOYSA-N
XLogP3.16
TPSA105.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

NS9283
CID 11998180
4-[5-(3-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 789859
2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
CID 71526208
3-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one
CID 11069405
US11066396, Example 459
CID 132258406
US9546152, example 42
CID 74222668
US9546152, example 58
CID 74222939
N-{2-[(4-cyanopyridin-2-yl)(methyl)amino]ethyl}-N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 121416850
US11352339, Example 162
CID 141720547
3-(3-Pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 73212786
US11352339, Example 158
CID 141720518
US11352339, Example 144
CID 141720533

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide (CID 118783123) is 3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide is COc1nccc(-c2cccc(C(=O)N(C)Cc3noc(C4CC4)n3)c2)c1C#N.
What is the InChIKey of 3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide?
The InChIKey is UBQHLOXQLCICIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-26(12-18-24-19(29-25-18)13-6-7-13)21(27)15-5-3-4-14(10-15)16-8-9-23-20(28-2)17(16)11-22/h3-5,8-10,13H,6-7,12H2,1-2H3.
What are the key properties of 3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide?
3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide has a molecular weight of 389.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 118783123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).