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

C14H11N5O3 — CID 136666477

IUPACN-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1ccccn1
InChIInChI=1S/C14H11N5O3/c20-13-9(4-3-7-16-13)12-18-11(22-19-12)8-17-14(21)10-5-1-2-6-15-10/h1-7H,8H2,(H,16,20)(H,17,21)
InChIKeyLSKTYVVJHSYARS-UHFFFAOYSA-N
MW297.27 g/mol
LogP0.75
Rot. Bonds4

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

N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide (PubChem CID 136666477) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
PubChem CID136666477
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC NameN-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1ccccn1
InChIInChI=1S/C14H11N5O3/c20-13-9(4-3-7-16-13)12-18-11(22-19-12)8-17-14(21)10-5-1-2-6-15-10/h1-7H,8H2,(H,16,20)(H,17,21)
InChIKeyLSKTYVVJHSYARS-UHFFFAOYSA-N
XLogP0.75
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide (CID 136666477) is N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide is O=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1ccccn1.
What is the InChIKey of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
The InChIKey is LSKTYVVJHSYARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3/c20-13-9(4-3-7-16-13)12-18-11(22-19-12)8-17-14(21)10-5-1-2-6-15-10/h1-7H,8H2,(H,16,20)(H,17,21).
What are the key properties of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide has a molecular weight of 297.27 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 136666477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).