2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide

C12H10N4O3 — CID 3575830

IUPAC2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ncccn1
InChIInChI=1S/C12H10N4O3/c17-11(15-12-13-6-1-7-14-12)8-9-2-4-10(5-3-9)16(18)19/h1-7H,8H2,(H,13,14,15,17)
InChIKeyVBPPEVMEVATNCB-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.57
Rot. Bonds4

About 2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide

2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide (PubChem CID 3575830) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide
PubChem CID3575830
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ncccn1
InChIInChI=1S/C12H10N4O3/c17-11(15-12-13-6-1-7-14-12)8-9-2-4-10(5-3-9)16(18)19/h1-7H,8H2,(H,13,14,15,17)
InChIKeyVBPPEVMEVATNCB-UHFFFAOYSA-N
XLogP1.57
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 5216204
N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 115577532
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine
CID 47350744
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3390048
2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 4522420
potassium 2-(4-nitrophenyl)acetate
CID 15261201
2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 3447971
N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide
CID 34110855

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide (CID 3575830) is 2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ncccn1.
What is the InChIKey of 2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide?
The InChIKey is VBPPEVMEVATNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-11(15-12-13-6-1-7-14-12)8-9-2-4-10(5-3-9)16(18)19/h1-7H,8H2,(H,13,14,15,17).
What are the key properties of 2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide?
2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide has a molecular weight of 258.24 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 3575830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).