2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide

C16H16N4O — CID 116675615

IUPAC2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide
SMILESCC(C(=O)Nc1cnc(-c2ccccc2)nc1)=C1CNC1
InChIInChI=1S/C16H16N4O/c1-11(13-7-17-8-13)16(21)20-14-9-18-15(19-10-14)12-5-3-2-4-6-12/h2-6,9-10,17H,7-8H2,1H3,(H,20,21)
InChIKeyCBFUUTXBMHZNQR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.00
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide

2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide (PubChem CID 116675615) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide
PubChem CID116675615
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide
SMILESCC(C(=O)Nc1cnc(-c2ccccc2)nc1)=C1CNC1
InChIInChI=1S/C16H16N4O/c1-11(13-7-17-8-13)16(21)20-14-9-18-15(19-10-14)12-5-3-2-4-6-12/h2-6,9-10,17H,7-8H2,1H3,(H,20,21)
InChIKeyCBFUUTXBMHZNQR-UHFFFAOYSA-N
XLogP2.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide
CID 116674576
5-[2-(azetidin-3-ylidene)propanoylamino]benzene-1,3-dicarboxamide
CID 116677173
N-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide
CID 116675629
2-amino-2-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide
CID 60848234
2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide
CID 43699755
2-methylsulfanyl-N-(2-phenylpyrimidin-5-yl)acetamide
CID 47128547
(E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide
CID 134056288
N-(2-phenylpyrimidin-5-yl)-2-piperidin-4-ylacetamide
CID 119697450
(E)-3-(3-methylphenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide
CID 46457220
1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea
CID 99835736
3-(ethylamino)-2-methyl-N-(2-phenylpyrimidin-5-yl)propanamide
CID 62851834

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide (CID 116675615) is 2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide is CC(C(=O)Nc1cnc(-c2ccccc2)nc1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide?
The InChIKey is CBFUUTXBMHZNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11(13-7-17-8-13)16(21)20-14-9-18-15(19-10-14)12-5-3-2-4-6-12/h2-6,9-10,17H,7-8H2,1H3,(H,20,21).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide?
2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2-phenylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 116675615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).