2-acetamido-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide

C21H16N4O3 — CID 91090222

IUPAC2-acetamido-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1nc(-c2ccc(C#Cc3cccnc3)cc2)cc(C(N)=O)c1O
InChIInChI=1S/C21H16N4O3/c1-13(26)24-21-19(27)17(20(22)28)11-18(25-21)16-8-6-14(7-9-16)4-5-15-3-2-10-23-12-15/h2-3,6-12,27H,1H3,(H2,22,28)(H,24,25,26)
InChIKeyJQNACGAECJBPQU-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.31
Rot. Bonds3

About 2-acetamido-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide

2-acetamido-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide (PubChem CID 91090222) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-acetamido-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
PubChem CID91090222
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name2-acetamido-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1nc(-c2ccc(C#Cc3cccnc3)cc2)cc(C(N)=O)c1O
InChIInChI=1S/C21H16N4O3/c1-13(26)24-21-19(27)17(20(22)28)11-18(25-21)16-8-6-14(7-9-16)4-5-15-3-2-10-23-12-15/h2-3,6-12,27H,1H3,(H2,22,28)(H,24,25,26)
InChIKeyJQNACGAECJBPQU-UHFFFAOYSA-N
XLogP2.31
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-acetamido-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide (CID 91090222) is 2-acetamido-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide is CC(=O)Nc1nc(-c2ccc(C#Cc3cccnc3)cc2)cc(C(N)=O)c1O.
What is the InChIKey of 2-acetamido-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide?
The InChIKey is JQNACGAECJBPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-13(26)24-21-19(27)17(20(22)28)11-18(25-21)16-8-6-14(7-9-16)4-5-15-3-2-10-23-12-15/h2-3,6-12,27H,1H3,(H2,22,28)(H,24,25,26).
What are the key properties of 2-acetamido-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide?
2-acetamido-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 91090222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).