N-(4-pyrimidin-5-ylphenyl)prop-2-enamide

C13H11N3O — CID 166406957

IUPACN-(4-pyrimidin-5-ylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C13H11N3O/c1-2-13(17)16-12-5-3-10(4-6-12)11-7-14-9-15-8-11/h2-9H,1H2,(H,16,17)
InChIKeyZCVXSDWSZJIKKC-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.27
Rot. Bonds3

About N-(4-pyrimidin-5-ylphenyl)prop-2-enamide

N-(4-pyrimidin-5-ylphenyl)prop-2-enamide (PubChem CID 166406957) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(4-pyrimidin-5-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-pyrimidin-5-ylphenyl)prop-2-enamide
PubChem CID166406957
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC NameN-(4-pyrimidin-5-ylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C13H11N3O/c1-2-13(17)16-12-5-3-10(4-6-12)11-7-14-9-15-8-11/h2-9H,1H2,(H,16,17)
InChIKeyZCVXSDWSZJIKKC-UHFFFAOYSA-N
XLogP2.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide
CID 166404220
N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide
CID 110461708
[4-(prop-2-enoylamino)phenyl]mercury
CID 67534138
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide
CID 166405051
N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide
CID 89266732
N-[4-(aminomethyl)phenyl]prop-2-enamide
CID 82503451
[amino-[4-(prop-2-enoylamino)phenyl]methylidene]azanium
CID 137274434
N-[4-(1,2,4-triazol-4-yl)phenyl]prop-2-enamide
CID 167921326
N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide
CID 43616637
N-[4-(6-anilinopyrimidin-4-yl)phenyl]prop-2-enamide
CID 174978109
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 21498516

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-5-ylphenyl)prop-2-enamide?
The IUPAC name of N-(4-pyrimidin-5-ylphenyl)prop-2-enamide (CID 166406957) is N-(4-pyrimidin-5-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-pyrimidin-5-ylphenyl)prop-2-enamide?
The canonical SMILES for N-(4-pyrimidin-5-ylphenyl)prop-2-enamide is C=CC(=O)Nc1ccc(-c2cncnc2)cc1.
What is the InChIKey of N-(4-pyrimidin-5-ylphenyl)prop-2-enamide?
The InChIKey is ZCVXSDWSZJIKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-2-13(17)16-12-5-3-10(4-6-12)11-7-14-9-15-8-11/h2-9H,1H2,(H,16,17).
What are the key properties of N-(4-pyrimidin-5-ylphenyl)prop-2-enamide?
N-(4-pyrimidin-5-ylphenyl)prop-2-enamide has a molecular weight of 225.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-5-ylphenyl)prop-2-enamide is sourced from PubChem (CID 166406957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).