2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide

C27H26N4O4 — CID 87562236

IUPAC2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NO)cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)n1
InChIInChI=1S/C27H26N4O4/c1-19(32)28-26-17-24(27(33)30-34)16-25(29-26)23-10-8-21(9-11-23)3-2-20-4-6-22(7-5-20)18-31-12-14-35-15-13-31/h4-11,16-17,34H,12-15,18H2,1H3,(H,30,33)(H,28,29,32)
InChIKeyFVDQCWJTZJAZMK-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.06
Rot. Bonds5

About 2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide

2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide (PubChem CID 87562236) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
PubChem CID87562236
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NO)cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)n1
InChIInChI=1S/C27H26N4O4/c1-19(32)28-26-17-24(27(33)30-34)16-25(29-26)23-10-8-21(9-11-23)3-2-20-4-6-22(7-5-20)18-31-12-14-35-15-13-31/h4-11,16-17,34H,12-15,18H2,1H3,(H,30,33)(H,28,29,32)
InChIKeyFVDQCWJTZJAZMK-UHFFFAOYSA-N
XLogP3.06
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid
CID 91341400
methyl 2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylate
CID 68758496
N-hydroxy-2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide
CID 87562845
N-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
CID 89034457
N-hydroxy-2-(2-morpholin-4-ylethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide
CID 87563400
2-amino-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxylic acid
CID 68760205
N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
CID 87562789
methyl 2-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-6-(pyrazine-2-carbonylamino)pyridine-4-carboxylate
CID 70853476
2-(cyclopropanecarbonylamino)-N-hydroxy-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]pyrimidine-4-carboxamide
CID 89034418
N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide
CID 50991200
7-amino-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]isoquinoline-8-carboxamide
CID 87563688
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 4796771

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide (CID 87562236) is 2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)NO)cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)n1.
What is the InChIKey of 2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide?
The InChIKey is FVDQCWJTZJAZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-19(32)28-26-17-24(27(33)30-34)16-25(29-26)23-10-8-21(9-11-23)3-2-20-4-6-22(7-5-20)18-31-12-14-35-15-13-31/h4-11,16-17,34H,12-15,18H2,1H3,(H,30,33)(H,28,29,32).
What are the key properties of 2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide?
2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 87562236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).