3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide

C19H16N4O4 — CID 90515527

IUPAC3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H16N4O4/c24-18-12-17(14-5-2-1-3-6-14)21-13-22(18)10-9-20-19(25)15-7-4-8-16(11-15)23(26)27/h1-8,11-13H,9-10H2,(H,20,25)
InChIKeyQRPAXUPOQQEECL-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.25
Rot. Bonds6

About 3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide

3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide (PubChem CID 90515527) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
PubChem CID90515527
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H16N4O4/c24-18-12-17(14-5-2-1-3-6-14)21-13-22(18)10-9-20-19(25)15-7-4-8-16(11-15)23(26)27/h1-8,11-13H,9-10H2,(H,20,25)
InChIKeyQRPAXUPOQQEECL-UHFFFAOYSA-N
XLogP2.25
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90515701
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 56724534
2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
CID 90515515
1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide
CID 90515674
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3-methyl-4-nitrobenzamide
CID 90516264
2-chloro-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-5-nitrobenzamide
CID 90516068
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methyl-3-nitrobenzamide
CID 90515756
5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 90515715
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,5-dinitrobenzamide
CID 121120469
3-nitro-N-[7-[(3-nitrobenzoyl)amino]heptyl]benzamide
CID 3626830
5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 90515676
N-[3-(dimethylamino)-3-oxopropyl]-3-nitrobenzamide
CID 134025655

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide?
The IUPAC name of 3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide (CID 90515527) is 3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide is O=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide?
The InChIKey is QRPAXUPOQQEECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c24-18-12-17(14-5-2-1-3-6-14)21-13-22(18)10-9-20-19(25)15-7-4-8-16(11-15)23(26)27/h1-8,11-13H,9-10H2,(H,20,25).
What are the key properties of 3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide?
3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide has a molecular weight of 364.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 90515527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).