N-hydroxy-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide

C20H16N4O2 — CID 87563795

IUPACN-hydroxy-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide
SMILESCNc1ncc(-c2ccc(C#Cc3cccnc3)cc2)cc1C(=O)NO
InChIInChI=1S/C20H16N4O2/c1-21-19-18(20(25)24-26)11-17(13-23-19)16-8-6-14(7-9-16)4-5-15-3-2-10-22-12-15/h2-3,6-13,26H,1H3,(H,21,23)(H,24,25)
InChIKeyIONMHHKDKPEQIX-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.70
Rot. Bonds3

About N-hydroxy-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide

N-hydroxy-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide (PubChem CID 87563795) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-hydroxy-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide
PubChem CID87563795
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-hydroxy-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide
SMILESCNc1ncc(-c2ccc(C#Cc3cccnc3)cc2)cc1C(=O)NO
InChIInChI=1S/C20H16N4O2/c1-21-19-18(20(25)24-26)11-17(13-23-19)16-8-6-14(7-9-16)4-5-15-3-2-10-22-12-15/h2-3,6-13,26H,1H3,(H,21,23)(H,24,25)
InChIKeyIONMHHKDKPEQIX-UHFFFAOYSA-N
XLogP2.70
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-hydroxy-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide (CID 87563795) is N-hydroxy-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide is CNc1ncc(-c2ccc(C#Cc3cccnc3)cc2)cc1C(=O)NO.
What is the InChIKey of N-hydroxy-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide?
The InChIKey is IONMHHKDKPEQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-21-19-18(20(25)24-26)11-17(13-23-19)16-8-6-14(7-9-16)4-5-15-3-2-10-22-12-15/h2-3,6-13,26H,1H3,(H,21,23)(H,24,25).
What are the key properties of N-hydroxy-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide?
N-hydroxy-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 87563795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).