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

C20H25N5O3 — CID 46225961

IUPACN-hydroxy-2-[4-[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC(NC(/C=C/c3ccccc3)CO)CC2)nc1
InChIInChI=1S/C20H25N5O3/c26-14-18(7-6-15-4-2-1-3-5-15)23-17-8-10-25(11-9-17)20-21-12-16(13-22-20)19(27)24-28/h1-7,12-13,17-18,23,26,28H,8-11,14H2,(H,24,27)/b7-6+
InChIKeyDLHJTLVCUFIEBX-VOTSOKGWSA-N
MW383.45 g/mol
LogP1.23
Rot. Bonds7

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

N-hydroxy-2-[4-[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 46225961) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-hydroxy-2-[4-[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]piperidin-1-yl]pyrimidine-5-carboxamide
PubChem CID46225961
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-hydroxy-2-[4-[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC(NC(/C=C/c3ccccc3)CO)CC2)nc1
InChIInChI=1S/C20H25N5O3/c26-14-18(7-6-15-4-2-1-3-5-15)23-17-8-10-25(11-9-17)20-21-12-16(13-22-20)19(27)24-28/h1-7,12-13,17-18,23,26,28H,8-11,14H2,(H,24,27)/b7-6+
InChIKeyDLHJTLVCUFIEBX-VOTSOKGWSA-N
XLogP1.23
TPSA110.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.23
H-Bond Donors ≤ 54
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-hydroxy-4-phenylbut-3-en-2-yl]amino]piperidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]piperidin-1-yl]pyrimidine-5-carboxamide (CID 46225961) is N-hydroxy-2-[4-[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]piperidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]piperidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]piperidin-1-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCC(NC(/C=C/c3ccccc3)CO)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[4-[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]piperidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is DLHJTLVCUFIEBX-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-14-18(7-6-15-4-2-1-3-5-15)23-17-8-10-25(11-9-17)20-21-12-16(13-22-20)19(27)24-28/h1-7,12-13,17-18,23,26,28H,8-11,14H2,(H,24,27)/b7-6+.
What are the key properties of N-hydroxy-2-[4-[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]piperidin-1-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[4-[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.23, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 46225961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).