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

C19H13N3O2 — CID 87563576

IUPACN-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-2-carboxamide
SMILESO=C(NO)c1cccc(-c2ccc(C#Cc3cccnc3)cc2)n1
InChIInChI=1S/C19H13N3O2/c23-19(22-24)18-5-1-4-17(21-18)16-10-8-14(9-11-16)6-7-15-3-2-12-20-13-15/h1-5,8-13,24H,(H,22,23)
InChIKeyJWCTZTRMUJFKSG-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.66
Rot. Bonds2

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

N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-2-carboxamide (PubChem CID 87563576) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-2-carboxamide
PubChem CID87563576
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC NameN-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-2-carboxamide
SMILESO=C(NO)c1cccc(-c2ccc(C#Cc3cccnc3)cc2)n1
InChIInChI=1S/C19H13N3O2/c23-19(22-24)18-5-1-4-17(21-18)16-10-8-14(9-11-16)6-7-15-3-2-12-20-13-15/h1-5,8-13,24H,(H,22,23)
InChIKeyJWCTZTRMUJFKSG-UHFFFAOYSA-N
XLogP2.66
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-2-carboxamide (CID 87563576) is N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-2-carboxamide is O=C(NO)c1cccc(-c2ccc(C#Cc3cccnc3)cc2)n1.
What is the InChIKey of N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-2-carboxamide?
The InChIKey is JWCTZTRMUJFKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-19(22-24)18-5-1-4-17(21-18)16-10-8-14(9-11-16)6-7-15-3-2-12-20-13-15/h1-5,8-13,24H,(H,22,23).
What are the key properties of N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-2-carboxamide?
N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 87563576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).