(E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide

C21H18N4O2 — CID 134056288

IUPAC(E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)Nc2cnc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C21H18N4O2/c1-15(26)24-18-10-7-16(8-11-18)9-12-20(27)25-19-13-22-21(23-14-19)17-5-3-2-4-6-17/h2-14H,1H3,(H,24,26)(H,25,27)/b12-9+
InChIKeyURPNMKRMXNBPCR-FMIVXFBMSA-N
MW358.40 g/mol
LogP3.75
Rot. Bonds5

About (E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide

(E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide (PubChem CID 134056288) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide
PubChem CID134056288
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name(E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)Nc2cnc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C21H18N4O2/c1-15(26)24-18-10-7-16(8-11-18)9-12-20(27)25-19-13-22-21(23-14-19)17-5-3-2-4-6-17/h2-14H,1H3,(H,24,26)(H,25,27)/b12-9+
InChIKeyURPNMKRMXNBPCR-FMIVXFBMSA-N
XLogP3.75
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.75
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

(E)-3-(4-methylsulfanylphenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide
CID 134009273
(E)-3-(3-methylphenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide
CID 46457220
N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 4136318
4-[(E)-3-(4-acetamidoanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134040656
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(Z)-N-[4-[2,6-bis[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]pyrimidin-4-yl]phenyl]-3-phenylprop-2-enamide
CID 99690618
(E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667582
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
N-[4-(acetylcarbamothioylamino)phenyl]-3-phenylprop-2-enamide
CID 960900
4-(3-anilino-3-oxoprop-1-enyl)benzamide
CID 77047630
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
3-phenyl-N-quinolin-3-ylprop-2-enamide
CID 4000416

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide (CID 134056288) is (E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide is CC(=O)Nc1ccc(/C=C/C(=O)Nc2cnc(-c3ccccc3)nc2)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide?
The InChIKey is URPNMKRMXNBPCR-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-15(26)24-18-10-7-16(8-11-18)9-12-20(27)25-19-13-22-21(23-14-19)17-5-3-2-4-6-17/h2-14H,1H3,(H,24,26)(H,25,27)/b12-9+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide has a molecular weight of 358.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide is sourced from PubChem (CID 134056288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).