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

C20H15N5O2 — CID 30334607

IUPAC6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2-c2nc(-c3cccnc3)no2)cn1
InChIInChI=1S/C20H15N5O2/c1-13-8-9-15(12-22-13)19(26)23-17-7-3-2-6-16(17)20-24-18(25-27-20)14-5-4-10-21-11-14/h2-12H,1H3,(H,23,26)
InChIKeySSZDNFOJQDVXAM-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.75
Rot. Bonds4

About 6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide

6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide (PubChem CID 30334607) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
PubChem CID30334607
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2-c2nc(-c3cccnc3)no2)cn1
InChIInChI=1S/C20H15N5O2/c1-13-8-9-15(12-22-13)19(26)23-17-7-3-2-6-16(17)20-24-18(25-27-20)14-5-4-10-21-11-14/h2-12H,1H3,(H,23,26)
InChIKeySSZDNFOJQDVXAM-UHFFFAOYSA-N
XLogP3.75
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide (CID 30334607) is 6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccccc2-c2nc(-c3cccnc3)no2)cn1.
What is the InChIKey of 6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is SSZDNFOJQDVXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-13-8-9-15(12-22-13)19(26)23-17-7-3-2-6-16(17)20-24-18(25-27-20)14-5-4-10-21-11-14/h2-12H,1H3,(H,23,26).
What are the key properties of 6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide?
6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 30334607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).