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

C24H33N7O2 — CID 46225967

IUPACN-hydroxy-2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
SMILESCN1CCN(CC(/C=C/c2ccccc2)N2CCN(c3ncc(C(=O)NO)cn3)CC2)CC1
InChIInChI=1S/C24H33N7O2/c1-28-9-11-29(12-10-28)19-22(8-7-20-5-3-2-4-6-20)30-13-15-31(16-14-30)24-25-17-21(18-26-24)23(32)27-33/h2-8,17-18,22,33H,9-16,19H2,1H3,(H,27,32)/b8-7+
InChIKeyCNAGVKFKUSKACO-BQYQJAHWSA-N
MW451.58 g/mol
LogP1.05
Rot. Bonds7

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

N-hydroxy-2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide (PubChem CID 46225967) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is N-hydroxy-2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
PubChem CID46225967
Molecular FormulaC24H33N7O2
Molecular Weight451.58 g/mol
Exact Mass451.27
IUPAC NameN-hydroxy-2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
SMILESCN1CCN(CC(/C=C/c2ccccc2)N2CCN(c3ncc(C(=O)NO)cn3)CC2)CC1
InChIInChI=1S/C24H33N7O2/c1-28-9-11-29(12-10-28)19-22(8-7-20-5-3-2-4-6-20)30-13-15-31(16-14-30)24-25-17-21(18-26-24)23(32)27-33/h2-8,17-18,22,33H,9-16,19H2,1H3,(H,27,32)/b8-7+
InChIKeyCNAGVKFKUSKACO-BQYQJAHWSA-N
XLogP1.05
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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
N-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 11638926
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
N-hydroxy-2-[4-[(E)-1-morpholin-4-yl-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 46225963

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide (CID 46225967) is N-hydroxy-2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide is CN1CCN(CC(/C=C/c2ccccc2)N2CCN(c3ncc(C(=O)NO)cn3)CC2)CC1.
What is the InChIKey of N-hydroxy-2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is CNAGVKFKUSKACO-BQYQJAHWSA-N. The full InChI is InChI=1S/C24H33N7O2/c1-28-9-11-29(12-10-28)19-22(8-7-20-5-3-2-4-6-20)30-13-15-31(16-14-30)24-25-17-21(18-26-24)23(32)27-33/h2-8,17-18,22,33H,9-16,19H2,1H3,(H,27,32)/b8-7+.
What are the key properties of N-hydroxy-2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 451.58 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 46225967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).