N-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide

C19H20N6O4 — CID 59376181

IUPACN-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCOC(Cn3ccn(-c4ccccc4)c3=O)C2)nc1
InChIInChI=1S/C19H20N6O4/c26-17(22-28)14-10-20-18(21-11-14)23-8-9-29-16(12-23)13-24-6-7-25(19(24)27)15-4-2-1-3-5-15/h1-7,10-11,16,28H,8-9,12-13H2,(H,22,26)
InChIKeyJQZQDUTWQKBDEM-UHFFFAOYSA-N
MW396.41 g/mol
LogP0.45
Rot. Bonds5

About N-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide (PubChem CID 59376181) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide
PubChem CID59376181
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC NameN-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCOC(Cn3ccn(-c4ccccc4)c3=O)C2)nc1
InChIInChI=1S/C19H20N6O4/c26-17(22-28)14-10-20-18(21-11-14)23-8-9-29-16(12-23)13-24-6-7-25(19(24)27)15-4-2-1-3-5-15/h1-7,10-11,16,28H,8-9,12-13H2,(H,22,26)
InChIKeyJQZQDUTWQKBDEM-UHFFFAOYSA-N
XLogP0.45
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide
CID 59376224
N-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide
CID 142804321
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363
N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109261157
N-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367600
4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 176705203
2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-ol
CID 170608695
2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-ol
CID 170608983
N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367667
N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 70790066
N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide
CID 95726375
2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 143666633

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide (CID 59376181) is N-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCOC(Cn3ccn(-c4ccccc4)c3=O)C2)nc1.
What is the InChIKey of N-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is JQZQDUTWQKBDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4/c26-17(22-28)14-10-20-18(21-11-14)23-8-9-29-16(12-23)13-24-6-7-25(19(24)27)15-4-2-1-3-5-15/h1-7,10-11,16,28H,8-9,12-13H2,(H,22,26).
What are the key properties of N-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 59376181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).