N-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide

C19H23N5O2 — CID 11638926

IUPACN-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
SMILESCC(/C=C/c1ccccc1)N1CCN(c2ncc(C(=O)NO)cn2)CC1
InChIInChI=1S/C19H23N5O2/c1-15(7-8-16-5-3-2-4-6-16)23-9-11-24(12-10-23)19-20-13-17(14-21-19)18(25)22-26/h2-8,13-15,26H,9-12H2,1H3,(H,22,25)/b8-7+
InChIKeyJMUDLVWSKDYNSZ-BQYQJAHWSA-N
MW353.43 g/mol
LogP1.82
Rot. Bonds5

About N-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide (PubChem CID 11638926) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
PubChem CID11638926
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
SMILESCC(/C=C/c1ccccc1)N1CCN(c2ncc(C(=O)NO)cn2)CC1
InChIInChI=1S/C19H23N5O2/c1-15(7-8-16-5-3-2-4-6-16)23-9-11-24(12-10-23)19-20-13-17(14-21-19)18(25)22-26/h2-8,13-15,26H,9-12H2,1H3,(H,22,25)/b8-7+
InChIKeyJMUDLVWSKDYNSZ-BQYQJAHWSA-N
XLogP1.82
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.82
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'}

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Related Compounds

Acy-738
CID 57381425
2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide
CID 91844718
N-hydroxy-2-[4-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 11581475
N-hydroxy-2-[4-[(E)-1-hydroxy-4-(4-phenylphenyl)but-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 46225959
N-hydroxy-2-[4-[(E)-1-hydroxy-4-(4-methylphenyl)but-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 46225964
N-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 10286983
N-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 11494701
2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-yl)piperazin-1-yl)-N-hydroxypyrimidine-5-carboxamide
CID 11682502
N-hydroxy-2-[4-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 11957768
2-[4-[(E)-2-amino-4-phenylbut-3-enyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 16655008
2-[4-[(E)-4-(3-fluorophenyl)-1-hydroxybut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 46225960
N-hydroxy-2-[4-[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]piperidin-1-yl]pyrimidine-5-carboxamide
CID 46225961

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide (CID 11638926) is N-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide is CC(/C=C/c1ccccc1)N1CCN(c2ncc(C(=O)NO)cn2)CC1.
What is the InChIKey of N-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is JMUDLVWSKDYNSZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-15(7-8-16-5-3-2-4-6-16)23-9-11-24(12-10-23)19-20-13-17(14-21-19)18(25)22-26/h2-8,13-15,26H,9-12H2,1H3,(H,22,25)/b8-7+.
What are the key properties of N-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 11638926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).