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

C26H26N4O4 — CID 89034452

IUPACN-hydroxy-3-methoxy-6-methyl-2-[4-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethynyl]phenyl]pyridine-4-carboxamide
SMILESCOc1c(C(=O)NO)cc(C)nc1-c1ccc(C#Cc2ccc(CN3CCOCC3)nc2)cc1
InChIInChI=1S/C26H26N4O4/c1-18-15-23(26(31)29-32)25(33-2)24(28-18)21-8-5-19(6-9-21)3-4-20-7-10-22(27-16-20)17-30-11-13-34-14-12-30/h5-10,15-16,32H,11-14,17H2,1-2H3,(H,29,31)
InChIKeyJINKIZHLAFHOKB-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.81
Rot. Bonds5

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

N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethynyl]phenyl]pyridine-4-carboxamide (PubChem CID 89034452) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethynyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-methoxy-6-methyl-2-[4-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethynyl]phenyl]pyridine-4-carboxamide
PubChem CID89034452
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN-hydroxy-3-methoxy-6-methyl-2-[4-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethynyl]phenyl]pyridine-4-carboxamide
SMILESCOc1c(C(=O)NO)cc(C)nc1-c1ccc(C#Cc2ccc(CN3CCOCC3)nc2)cc1
InChIInChI=1S/C26H26N4O4/c1-18-15-23(26(31)29-32)25(33-2)24(28-18)21-8-5-19(6-9-21)3-4-20-7-10-22(27-16-20)17-30-11-13-34-14-12-30/h5-10,15-16,32H,11-14,17H2,1-2H3,(H,29,31)
InChIKeyJINKIZHLAFHOKB-UHFFFAOYSA-N
XLogP2.81
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
CID 87562789
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
methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate
CID 11266319
N-hydroxy-5-[4-[2-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]ethynyl]phenyl]-6-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 91666315
N-hydroxy-2-(2-morpholin-4-ylethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide
CID 87563400
2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
CID 87562236
7-amino-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]isoquinoline-8-carboxamide
CID 87563688
N-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
CID 89034457
N-[3-[[amino-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoyl]amino]-5-tert-butyl-2-methoxyphenyl]acetamide
CID 142862713

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethynyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethynyl]phenyl]pyridine-4-carboxamide (CID 89034452) is N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethynyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethynyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethynyl]phenyl]pyridine-4-carboxamide is COc1c(C(=O)NO)cc(C)nc1-c1ccc(C#Cc2ccc(CN3CCOCC3)nc2)cc1.
What is the InChIKey of N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethynyl]phenyl]pyridine-4-carboxamide?
The InChIKey is JINKIZHLAFHOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-18-15-23(26(31)29-32)25(33-2)24(28-18)21-8-5-19(6-9-21)3-4-20-7-10-22(27-16-20)17-30-11-13-34-14-12-30/h5-10,15-16,32H,11-14,17H2,1-2H3,(H,29,31).
What are the key properties of N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethynyl]phenyl]pyridine-4-carboxamide?
N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethynyl]phenyl]pyridine-4-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methoxy-6-methyl-2-[4-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]ethynyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 89034452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).