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

C15H13N5O2 — CID 92559021

IUPACN-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(-c2nnc(CNC(=O)c3cccnc3)o2)cn1
InChIInChI=1S/C15H13N5O2/c1-10-4-5-12(8-17-10)15-20-19-13(22-15)9-18-14(21)11-3-2-6-16-7-11/h2-8H,9H2,1H3,(H,18,21)
InChIKeyUWVRELSBHQJQIW-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.77
Rot. Bonds4

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

N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 92559021) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide
PubChem CID92559021
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC NameN-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(-c2nnc(CNC(=O)c3cccnc3)o2)cn1
InChIInChI=1S/C15H13N5O2/c1-10-4-5-12(8-17-10)15-20-19-13(22-15)9-18-14(21)11-3-2-6-16-7-11/h2-8H,9H2,1H3,(H,18,21)
InChIKeyUWVRELSBHQJQIW-UHFFFAOYSA-N
XLogP1.77
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide (CID 92559021) is N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide is Cc1ccc(-c2nnc(CNC(=O)c3cccnc3)o2)cn1.
What is the InChIKey of N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is UWVRELSBHQJQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-10-4-5-12(8-17-10)15-20-19-13(22-15)9-18-14(21)11-3-2-6-16-7-11/h2-8H,9H2,1H3,(H,18,21).
What are the key properties of N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide?
N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 92559021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).