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

C20H25N5O3 — CID 11494701

IUPACN-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
SMILESCOCC(/C=C/c1ccccc1)N1CCN(c2ncc(C(=O)NO)cn2)CC1
InChIInChI=1S/C20H25N5O3/c1-28-15-18(8-7-16-5-3-2-4-6-16)24-9-11-25(12-10-24)20-21-13-17(14-22-20)19(26)23-27/h2-8,13-14,18,27H,9-12,15H2,1H3,(H,23,26)/b8-7+
InChIKeyCUHDSDLVRCISIT-BQYQJAHWSA-N
MW383.45 g/mol
LogP1.45
Rot. Bonds7

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

N-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide (PubChem CID 11494701) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
PubChem CID11494701
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
SMILESCOCC(/C=C/c1ccccc1)N1CCN(c2ncc(C(=O)NO)cn2)CC1
InChIInChI=1S/C20H25N5O3/c1-28-15-18(8-7-16-5-3-2-4-6-16)24-9-11-25(12-10-24)20-21-13-17(14-22-20)19(26)23-27/h2-8,13-14,18,27H,9-12,15H2,1H3,(H,23,26)/b8-7+
InChIKeyCUHDSDLVRCISIT-BQYQJAHWSA-N
XLogP1.45
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.45
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide (CID 11494701) is N-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide is COCC(/C=C/c1ccccc1)N1CCN(c2ncc(C(=O)NO)cn2)CC1.
What is the InChIKey of N-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is CUHDSDLVRCISIT-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-28-15-18(8-7-16-5-3-2-4-6-16)24-9-11-25(12-10-24)20-21-13-17(14-22-20)19(26)23-27/h2-8,13-14,18,27H,9-12,15H2,1H3,(H,23,26)/b8-7+.
What are the key properties of N-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 11494701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).