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

C22H20N4O3 — CID 87562790

IUPACN-hydroxy-2-(2-methoxyethylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide
SMILESCOCCNc1ncc(-c2ccc(C#Cc3cccnc3)cc2)cc1C(=O)NO
InChIInChI=1S/C22H20N4O3/c1-29-12-11-24-21-20(22(27)26-28)13-19(15-25-21)18-8-6-16(7-9-18)4-5-17-3-2-10-23-14-17/h2-3,6-10,13-15,28H,11-12H2,1H3,(H,24,25)(H,26,27)
InChIKeyNGBUTMZTRAFYEL-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.72
Rot. Bonds6

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

N-hydroxy-2-(2-methoxyethylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide (PubChem CID 87562790) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-hydroxy-2-(2-methoxyethylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(2-methoxyethylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide
PubChem CID87562790
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-hydroxy-2-(2-methoxyethylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide
SMILESCOCCNc1ncc(-c2ccc(C#Cc3cccnc3)cc2)cc1C(=O)NO
InChIInChI=1S/C22H20N4O3/c1-29-12-11-24-21-20(22(27)26-28)13-19(15-25-21)18-8-6-16(7-9-18)4-5-17-3-2-10-23-14-17/h2-3,6-10,13-15,28H,11-12H2,1H3,(H,24,25)(H,26,27)
InChIKeyNGBUTMZTRAFYEL-UHFFFAOYSA-N
XLogP2.72
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methoxyethylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-hydroxy-2-(2-methoxyethylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide (CID 87562790) is N-hydroxy-2-(2-methoxyethylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-2-(2-methoxyethylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-2-(2-methoxyethylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide is COCCNc1ncc(-c2ccc(C#Cc3cccnc3)cc2)cc1C(=O)NO.
What is the InChIKey of N-hydroxy-2-(2-methoxyethylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide?
The InChIKey is NGBUTMZTRAFYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-29-12-11-24-21-20(22(27)26-28)13-19(15-25-21)18-8-6-16(7-9-18)4-5-17-3-2-10-23-14-17/h2-3,6-10,13-15,28H,11-12H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-hydroxy-2-(2-methoxyethylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide?
N-hydroxy-2-(2-methoxyethylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(2-methoxyethylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 87562790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).