N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide

C27H27N3O4 — CID 87562789

IUPACN-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
SMILESCOc1c(C(=O)NO)cc(C)nc1-c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C27H27N3O4/c1-19-17-24(27(31)29-32)26(33-2)25(28-19)23-11-9-21(10-12-23)4-3-20-5-7-22(8-6-20)18-30-13-15-34-16-14-30/h5-12,17,32H,13-16,18H2,1-2H3,(H,29,31)
InChIKeyWUALTSFNKHMWST-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.42
Rot. Bonds5

About N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide

N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide (PubChem CID 87562789) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
PubChem CID87562789
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC NameN-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
SMILESCOc1c(C(=O)NO)cc(C)nc1-c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C27H27N3O4/c1-19-17-24(27(31)29-32)26(33-2)25(28-19)23-11-9-21(10-12-23)4-3-20-5-7-22(8-6-20)18-30-13-15-34-16-14-30/h5-12,17,32H,13-16,18H2,1-2H3,(H,29,31)
InChIKeyWUALTSFNKHMWST-UHFFFAOYSA-N
XLogP3.42
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.42
H-Bond Donors ≤ 52
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

N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethynyl]phenyl]pyridine-4-carboxamide
CID 89034452
N-hydroxy-3-methoxy-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-6-oxido-1,6-naphthyridin-6-ium-4-carboxamide
CID 151656314
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
2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid
CID 91341400
2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
CID 87562236
N-hydroxy-2-(2-morpholin-4-ylethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide
CID 87563400
4-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]morpholine
CID 123803734
7-amino-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]isoquinoline-8-carboxamide
CID 87563688
2-amino-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxylic acid
CID 68760205
N-[(2S,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzamide
CID 59417115
N-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
CID 89034457

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide (CID 87562789) is N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide is COc1c(C(=O)NO)cc(C)nc1-c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide?
The InChIKey is WUALTSFNKHMWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-19-17-24(27(31)29-32)26(33-2)25(28-19)23-11-9-21(10-12-23)4-3-20-5-7-22(8-6-20)18-30-13-15-34-16-14-30/h5-12,17,32H,13-16,18H2,1-2H3,(H,29,31).
What are the key properties of N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide?
N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 87562789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).