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

C20H25N5O4 — CID 46226895

IUPACN-hydroxy-2-[2-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCOC(CNC(/C=C/c3ccccc3)CO)C2)nc1
InChIInChI=1S/C20H25N5O4/c26-14-17(7-6-15-4-2-1-3-5-15)21-12-18-13-25(8-9-29-18)20-22-10-16(11-23-20)19(27)24-28/h1-7,10-11,17-18,21,26,28H,8-9,12-14H2,(H,24,27)/b7-6+
InChIKeyZYAUSXQMBKTROG-VOTSOKGWSA-N
MW399.45 g/mol
LogP0.46
Rot. Bonds8

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

N-hydroxy-2-[2-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide (PubChem CID 46226895) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-hydroxy-2-[2-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide
PubChem CID46226895
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC NameN-hydroxy-2-[2-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCOC(CNC(/C=C/c3ccccc3)CO)C2)nc1
InChIInChI=1S/C20H25N5O4/c26-14-17(7-6-15-4-2-1-3-5-15)21-12-18-13-25(8-9-29-18)20-22-10-16(11-23-20)19(27)24-28/h1-7,10-11,17-18,21,26,28H,8-9,12-14H2,(H,24,27)/b7-6+
InChIKeyZYAUSXQMBKTROG-VOTSOKGWSA-N
XLogP0.46
TPSA119.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 50.46
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[2-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide (CID 46226895) is N-hydroxy-2-[2-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[2-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[2-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCOC(CNC(/C=C/c3ccccc3)CO)C2)nc1.
What is the InChIKey of N-hydroxy-2-[2-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is ZYAUSXQMBKTROG-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H25N5O4/c26-14-17(7-6-15-4-2-1-3-5-15)21-12-18-13-25(8-9-29-18)20-22-10-16(11-23-20)19(27)24-28/h1-7,10-11,17-18,21,26,28H,8-9,12-14H2,(H,24,27)/b7-6+.
What are the key properties of N-hydroxy-2-[2-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[2-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 0.46, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 46226895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).