1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide

C12H14N4O3 — CID 59842897

IUPAC1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(=O)n(Cc2ncon2)c1
InChIInChI=1S/C12H14N4O3/c1-8(2)14-12(18)9-3-4-11(17)16(5-9)6-10-13-7-19-15-10/h3-5,7-8H,6H2,1-2H3,(H,14,18)
InChIKeyMIPJMNXRJDWPRQ-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.42
Rot. Bonds4

About 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide

1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 59842897) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide
PubChem CID59842897
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(=O)n(Cc2ncon2)c1
InChIInChI=1S/C12H14N4O3/c1-8(2)14-12(18)9-3-4-11(17)16(5-9)6-10-13-7-19-15-10/h3-5,7-8H,6H2,1-2H3,(H,14,18)
InChIKeyMIPJMNXRJDWPRQ-UHFFFAOYSA-N
XLogP0.42
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide (CID 59842897) is 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1ccc(=O)n(Cc2ncon2)c1.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is MIPJMNXRJDWPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-8(2)14-12(18)9-3-4-11(17)16(5-9)6-10-13-7-19-15-10/h3-5,7-8H,6H2,1-2H3,(H,14,18).
What are the key properties of 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 59842897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).