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

C23H20N4O3 — CID 91500550

IUPACN-hydroxy-2-(2-methylpropanoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)NO)cc(-c2ccc(C#Cc3cccnc3)cc2)n1
InChIInChI=1S/C23H20N4O3/c1-15(2)22(28)26-21-13-19(23(29)27-30)12-20(25-21)18-9-7-16(8-10-18)5-6-17-4-3-11-24-14-17/h3-4,7-15,30H,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyLEDPQLVIICLAMS-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.26
Rot. Bonds4

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

N-hydroxy-2-(2-methylpropanoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide (PubChem CID 91500550) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-hydroxy-2-(2-methylpropanoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(2-methylpropanoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
PubChem CID91500550
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-hydroxy-2-(2-methylpropanoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)NO)cc(-c2ccc(C#Cc3cccnc3)cc2)n1
InChIInChI=1S/C23H20N4O3/c1-15(2)22(28)26-21-13-19(23(29)27-30)12-20(25-21)18-9-7-16(8-10-18)5-6-17-4-3-11-24-14-17/h3-4,7-15,30H,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyLEDPQLVIICLAMS-UHFFFAOYSA-N
XLogP3.26
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.26
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-(2-methylpropanoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-hydroxy-2-(2-methylpropanoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide (CID 91500550) is N-hydroxy-2-(2-methylpropanoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-(2-methylpropanoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-2-(2-methylpropanoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide is CC(C)C(=O)Nc1cc(C(=O)NO)cc(-c2ccc(C#Cc3cccnc3)cc2)n1.
What is the InChIKey of N-hydroxy-2-(2-methylpropanoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide?
The InChIKey is LEDPQLVIICLAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-15(2)22(28)26-21-13-19(23(29)27-30)12-20(25-21)18-9-7-16(8-10-18)5-6-17-4-3-11-24-14-17/h3-4,7-15,30H,1-2H3,(H,27,29)(H,25,26,28).
What are the key properties of N-hydroxy-2-(2-methylpropanoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide?
N-hydroxy-2-(2-methylpropanoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(2-methylpropanoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 91500550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).