2-[4-[[3-(4-cyanophenyl)-2,4-dioxo-5-phenylimidazolidin-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide

C32H33N7O5 — CID 59376238

IUPAC2-[4-[[3-(4-cyanophenyl)-2,4-dioxo-5-phenylimidazolidin-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
SMILESN#Cc1ccc(N2C(=O)C(c3ccccc3)N(CC3CCN(c4ncc(C(=O)NOC5CCCCO5)cn4)CC3)C2=O)cc1
InChIInChI=1S/C32H33N7O5/c33-18-22-9-11-26(12-10-22)39-30(41)28(24-6-2-1-3-7-24)38(32(39)42)21-23-13-15-37(16-14-23)31-34-19-25(20-35-31)29(40)36-44-27-8-4-5-17-43-27/h1-3,6-7,9-12,19-20,23,27-28H,4-5,8,13-17,21H2,(H,36,40)
InChIKeyZPKHJLWKVPLZSN-UHFFFAOYSA-N
MW595.66 g/mol
LogP3.96
Rot. Bonds8

About 2-[4-[[3-(4-cyanophenyl)-2,4-dioxo-5-phenylimidazolidin-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide

2-[4-[[3-(4-cyanophenyl)-2,4-dioxo-5-phenylimidazolidin-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide (PubChem CID 59376238) has the molecular formula C32H33N7O5 and a molecular weight of 595.66 g/mol. Its IUPAC name is 2-[4-[[3-(4-cyanophenyl)-2,4-dioxo-5-phenylimidazolidin-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[3-(4-cyanophenyl)-2,4-dioxo-5-phenylimidazolidin-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
PubChem CID59376238
Molecular FormulaC32H33N7O5
Molecular Weight595.66 g/mol
Exact Mass595.25
IUPAC Name2-[4-[[3-(4-cyanophenyl)-2,4-dioxo-5-phenylimidazolidin-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
SMILESN#Cc1ccc(N2C(=O)C(c3ccccc3)N(CC3CCN(c4ncc(C(=O)NOC5CCCCO5)cn4)CC3)C2=O)cc1
InChIInChI=1S/C32H33N7O5/c33-18-22-9-11-26(12-10-22)39-30(41)28(24-6-2-1-3-7-24)38(32(39)42)21-23-13-15-37(16-14-23)31-34-19-25(20-35-31)29(40)36-44-27-8-4-5-17-43-27/h1-3,6-7,9-12,19-20,23,27-28H,4-5,8,13-17,21H2,(H,36,40)
InChIKeyZPKHJLWKVPLZSN-UHFFFAOYSA-N
XLogP3.96
TPSA140.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.66
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[[3-(4-cyanophenyl)-2,4-dioxo-5-phenylimidazolidin-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 58896211
methyl 2-[[1-[5-(oxan-2-yloxycarbamoyl)pyrimidin-2-yl]piperidin-4-yl]methylamino]propanoate
CID 59376208
2-[4-[[3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-oxoimidazol-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 59376200
2-[4-[[(1-ethyl-3a,7a-dihydroindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 88529632
2-[4-(2-amino-4-phenylbut-3-enyl)piperazin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 74412378
2-[4-(1-hydroxy-4-phenylbut-3-en-2-yl)piperazin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 76789333
2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 58896212
2-[4-[[(5-chloro-2,3-dihydro-1H-indol-3-yl)methylamino]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 88869920
2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249597
2-[3-(naphthalen-2-ylsulfonylamino)azetidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 59367688
N-(oxan-2-yloxy)-2-[4-[4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 58844923
N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(4-cyanophenyl)-2,4-dioxo-5-phenylimidazolidin-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide?
The IUPAC name of 2-[4-[[3-(4-cyanophenyl)-2,4-dioxo-5-phenylimidazolidin-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide (CID 59376238) is 2-[4-[[3-(4-cyanophenyl)-2,4-dioxo-5-phenylimidazolidin-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-[[3-(4-cyanophenyl)-2,4-dioxo-5-phenylimidazolidin-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-[[3-(4-cyanophenyl)-2,4-dioxo-5-phenylimidazolidin-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide is N#Cc1ccc(N2C(=O)C(c3ccccc3)N(CC3CCN(c4ncc(C(=O)NOC5CCCCO5)cn4)CC3)C2=O)cc1.
What is the InChIKey of 2-[4-[[3-(4-cyanophenyl)-2,4-dioxo-5-phenylimidazolidin-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide?
The InChIKey is ZPKHJLWKVPLZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7O5/c33-18-22-9-11-26(12-10-22)39-30(41)28(24-6-2-1-3-7-24)38(32(39)42)21-23-13-15-37(16-14-23)31-34-19-25(20-35-31)29(40)36-44-27-8-4-5-17-43-27/h1-3,6-7,9-12,19-20,23,27-28H,4-5,8,13-17,21H2,(H,36,40).
What are the key properties of 2-[4-[[3-(4-cyanophenyl)-2,4-dioxo-5-phenylimidazolidin-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide?
2-[4-[[3-(4-cyanophenyl)-2,4-dioxo-5-phenylimidazolidin-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide has a molecular weight of 595.66 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(4-cyanophenyl)-2,4-dioxo-5-phenylimidazolidin-1-yl]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide is sourced from PubChem (CID 59376238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).