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

C16H14N4O3 — CID 91759846

IUPAC4-(hydroxymethyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1noc(-c2ccccc2)n1)c1cc(CO)ccn1
InChIInChI=1S/C16H14N4O3/c21-10-11-6-7-17-13(8-11)15(22)18-9-14-19-16(23-20-14)12-4-2-1-3-5-12/h1-8,21H,9-10H2,(H,18,22)
InChIKeyRMBWQGDOJREBGU-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.55
Rot. Bonds5

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

4-(hydroxymethyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 91759846) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide
PubChem CID91759846
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name4-(hydroxymethyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1noc(-c2ccccc2)n1)c1cc(CO)ccn1
InChIInChI=1S/C16H14N4O3/c21-10-11-6-7-17-13(8-11)15(22)18-9-14-19-16(23-20-14)12-4-2-1-3-5-12/h1-8,21H,9-10H2,(H,18,22)
InChIKeyRMBWQGDOJREBGU-UHFFFAOYSA-N
XLogP1.55
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide (CID 91759846) is 4-(hydroxymethyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide is O=C(NCc1noc(-c2ccccc2)n1)c1cc(CO)ccn1.
What is the InChIKey of 4-(hydroxymethyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is RMBWQGDOJREBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-10-11-6-7-17-13(8-11)15(22)18-9-14-19-16(23-20-14)12-4-2-1-3-5-12/h1-8,21H,9-10H2,(H,18,22).
What are the key properties of 4-(hydroxymethyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide?
4-(hydroxymethyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 91759846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).