N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide

C15H16N4O4 — CID 121119206

IUPACN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide
SMILESCc1cc(=O)n(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C15H16N4O4/c1-11-8-15(21)18(10-17-11)7-6-16-14(20)9-12-2-4-13(5-3-12)19(22)23/h2-5,8,10H,6-7,9H2,1H3,(H,16,20)
InChIKeyNHMVXOMTBFPNNK-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.82
Rot. Bonds6

About N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide

N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide (PubChem CID 121119206) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide
PubChem CID121119206
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC NameN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide
SMILESCc1cc(=O)n(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C15H16N4O4/c1-11-8-15(21)18(10-17-11)7-6-16-14(20)9-12-2-4-13(5-3-12)19(22)23/h2-5,8,10H,6-7,9H2,1H3,(H,16,20)
InChIKeyNHMVXOMTBFPNNK-UHFFFAOYSA-N
XLogP0.82
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.82
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'}

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Related Compounds

N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 121120319
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-nitrophenyl)acetamide
CID 121106637
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119335
N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-2-(4-nitrophenyl)acetamide
CID 90541504
2-(4-nitrophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide
CID 122280460
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(4-nitrophenyl)acetamide
CID 121033533
N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
CID 62657388
N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
CID 2054852
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide
CID 121119194
2-cyclohexyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119113
2-(4-bromophenyl)-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516071
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-yloxyacetamide
CID 121119286

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide (CID 121119206) is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide is Cc1cc(=O)n(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is NHMVXOMTBFPNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-11-8-15(21)18(10-17-11)7-6-16-14(20)9-12-2-4-13(5-3-12)19(22)23/h2-5,8,10H,6-7,9H2,1H3,(H,16,20).
What are the key properties of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide?
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 316.32 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 121119206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).