N-hydroxy-2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide

C26H27N5O3 — CID 89034642

IUPACN-hydroxy-2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
SMILESCOCCN1CCN(c2cc(C(=O)NO)cc(-c3ccc(C#Cc4cccnc4)cc3)n2)CC1
InChIInChI=1S/C26H27N5O3/c1-34-16-15-30-11-13-31(14-12-30)25-18-23(26(32)29-33)17-24(28-25)22-8-6-20(7-9-22)4-5-21-3-2-10-27-19-21/h2-3,6-10,17-19,33H,11-16H2,1H3,(H,29,32)
InChIKeyXPKDYGXDPDUXIS-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.43
Rot. Bonds6

About N-hydroxy-2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide

N-hydroxy-2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide (PubChem CID 89034642) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-hydroxy-2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
PubChem CID89034642
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-hydroxy-2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
SMILESCOCCN1CCN(c2cc(C(=O)NO)cc(-c3ccc(C#Cc4cccnc4)cc3)n2)CC1
InChIInChI=1S/C26H27N5O3/c1-34-16-15-30-11-13-31(14-12-30)25-18-23(26(32)29-33)17-24(28-25)22-8-6-20(7-9-22)4-5-21-3-2-10-27-19-21/h2-3,6-10,17-19,33H,11-16H2,1H3,(H,29,32)
InChIKeyXPKDYGXDPDUXIS-UHFFFAOYSA-N
XLogP2.43
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.43
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

BPKDi
CID 46901383
2''-Phenylamino-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Methyl Amide
CID 46901384
6-Piperazin-1-yl-2'-(tetrahydropyran-4-ylamino)-[2,4']bipyridinyl-4-carboxylic acid amide
CID 46901385
2-Piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide
CID 46901542
[4-[6-Amino-5-[6-(trifluoromethyl)-3-pyridyl]-3-pyridyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71455663
[4-[6-Amino-5-[6-(trifluoromethyl)-3-pyridyl]-3-pyridyl]phenyl]-morpholino-methanone
CID 71457442
N-(2-aminophenyl)-4-((4-(6-morpholinopyridin-3-yl)pyrimidin-2-ylamino)methyl)benzamide
CID 44570806
2''-Cyclohexylamino-6-((R)-3-methylpiperazin-1-yl)[2,4'']bipyridinyl-4-carboxylic Acid Amide
CID 46899558
2''-Cyclohexylamino-6-((S)-3-methylpiperazin-1-yl)[2,4'']bipyridinyl-4-carboxylic Acid Amide
CID 46899718
2-(3-Aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide
CID 46899719
2''-Cyclohexylamino-6-(4-methylpiperazin-1-yl)[2,4'']bipyridinyl-4-carboxylic Acid Amide
CID 46899720
2-[4-(Aminomethyl)piperidin-1-yl]-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide
CID 46899721

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-hydroxy-2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide (CID 89034642) is N-hydroxy-2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide is COCCN1CCN(c2cc(C(=O)NO)cc(-c3ccc(C#Cc4cccnc4)cc3)n2)CC1.
What is the InChIKey of N-hydroxy-2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide?
The InChIKey is XPKDYGXDPDUXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-34-16-15-30-11-13-31(14-12-30)25-18-23(26(32)29-33)17-24(28-25)22-8-6-20(7-9-22)4-5-21-3-2-10-27-19-21/h2-3,6-10,17-19,33H,11-16H2,1H3,(H,29,32).
What are the key properties of N-hydroxy-2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide?
N-hydroxy-2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 89034642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).