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

C19H22N4O4 — CID 121120319

IUPACN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCCn1cnc(C2CCCC2)cc1=O
InChIInChI=1S/C19H22N4O4/c24-18(11-14-5-7-16(8-6-14)23(26)27)20-9-10-22-13-21-17(12-19(22)25)15-3-1-2-4-15/h5-8,12-13,15H,1-4,9-11H2,(H,20,24)
InChIKeyVAFKHJAFPFRJOJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.17
Rot. Bonds7

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

N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide (PubChem CID 121120319) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide
PubChem CID121120319
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCCn1cnc(C2CCCC2)cc1=O
InChIInChI=1S/C19H22N4O4/c24-18(11-14-5-7-16(8-6-14)23(26)27)20-9-10-22-13-21-17(12-19(22)25)15-3-1-2-4-15/h5-8,12-13,15H,1-4,9-11H2,(H,20,24)
InChIKeyVAFKHJAFPFRJOJ-UHFFFAOYSA-N
XLogP2.17
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.17
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]-3,5-dinitrobenzamide
CID 121120469
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 121119206
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-nitrophenyl)acetamide
CID 121106637
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide
CID 71795178
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 121120366
2-(4-nitrophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide
CID 122280460
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 121120234
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121120373
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea
CID 121120599
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121120412
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119099491
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 121120589

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide (CID 121120319) is N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NCCn1cnc(C2CCCC2)cc1=O.
What is the InChIKey of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is VAFKHJAFPFRJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-18(11-14-5-7-16(8-6-14)23(26)27)20-9-10-22-13-21-17(12-19(22)25)15-3-1-2-4-15/h5-8,12-13,15H,1-4,9-11H2,(H,20,24).
What are the key properties of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide?
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 121120319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).