4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide

C15H15N5O4 — CID 23931407

IUPAC4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N5O4/c21-14(18-15-16-4-1-5-17-15)11-2-3-12(13(10-11)20(22)23)19-6-8-24-9-7-19/h1-5,10H,6-9H2,(H,16,17,18,21)
InChIKeyZCRURAGBMVNKEK-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.47
Rot. Bonds4

About 4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide

4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide (PubChem CID 23931407) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is 4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide
PubChem CID23931407
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N5O4/c21-14(18-15-16-4-1-5-17-15)11-2-3-12(13(10-11)20(22)23)19-6-8-24-9-7-19/h1-5,10H,6-9H2,(H,16,17,18,21)
InChIKeyZCRURAGBMVNKEK-UHFFFAOYSA-N
XLogP1.47
TPSA110.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
CID 4089078
4-morpholin-4-yl-3-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 2981236
4-morpholin-4-yl-3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5214969
N-(5-methyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide
CID 4314491
N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 7339768
4-hydroxy-3-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoic acid
CID 108730214
4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide
CID 4810767
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
N-[3,5-bis(trifluoromethyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 2977784
N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2964862
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-yl-3-nitrobenzamide
CID 3491966
N-(4-methylsulfonylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 18291350

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide (CID 23931407) is 4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide is O=C(Nc1ncccn1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide?
The InChIKey is ZCRURAGBMVNKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4/c21-14(18-15-16-4-1-5-17-15)11-2-3-12(13(10-11)20(22)23)19-6-8-24-9-7-19/h1-5,10H,6-9H2,(H,16,17,18,21).
What are the key properties of 4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide?
4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide has a molecular weight of 329.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 23931407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).