2-methoxy-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide

C16H15N5O3 — CID 70785221

IUPAC2-methoxy-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(C)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C16H15N5O3/c1-21(16(22)11-6-5-9-18-15(11)23-2)10-13-19-14(20-24-13)12-7-3-4-8-17-12/h3-9H,10H2,1-2H3
InChIKeyJXIJARZLRORHRX-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.81
Rot. Bonds5

About 2-methoxy-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide

2-methoxy-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 70785221) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID70785221
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name2-methoxy-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(C)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C16H15N5O3/c1-21(16(22)11-6-5-9-18-15(11)23-2)10-13-19-14(20-24-13)12-7-3-4-8-17-12/h3-9H,10H2,1-2H3
InChIKeyJXIJARZLRORHRX-UHFFFAOYSA-N
XLogP1.81
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide (CID 70785221) is 2-methoxy-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide is COc1ncccc1C(=O)N(C)Cc1nc(-c2ccccn2)no1.
What is the InChIKey of 2-methoxy-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is JXIJARZLRORHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-21(16(22)11-6-5-9-18-15(11)23-2)10-13-19-14(20-24-13)12-7-3-4-8-17-12/h3-9H,10H2,1-2H3.
What are the key properties of 2-methoxy-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
2-methoxy-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 70785221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).