N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide

C20H20N4O2 — CID 71880850

IUPACN-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide
SMILESCc1c[nH]c(=O)n1-c1ccc(C(C)NC(=O)C=Cc2ccncc2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-13-22-20(26)24(14)18-6-4-17(5-7-18)15(2)23-19(25)8-3-16-9-11-21-12-10-16/h3-13,15H,1-2H3,(H,22,26)(H,23,25)
InChIKeyXNSQCXRGUULRAL-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.76
Rot. Bonds5

About N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide

N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide (PubChem CID 71880850) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound NameN-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide
PubChem CID71880850
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide
SMILESCc1c[nH]c(=O)n1-c1ccc(C(C)NC(=O)C=Cc2ccncc2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-13-22-20(26)24(14)18-6-4-17(5-7-18)15(2)23-19(25)8-3-16-9-11-21-12-10-16/h3-13,15H,1-2H3,(H,22,26)(H,23,25)
InChIKeyXNSQCXRGUULRAL-UHFFFAOYSA-N
XLogP2.76
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.76
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

4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide
CID 24639260
4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide
CID 71880877
(E)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 43907234
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-3-(3-aminophenyl)-N-(1-pyridin-4-ylethyl)prop-2-enamide
CID 115342860
(E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide
CID 20791792
N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362
(E)-4-oxo-4-[[(1S)-1-pyridin-4-ylethyl]amino]but-2-enoic acid
CID 81405174
(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 898567
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide
CID 28576987
(E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 42990101
(E)-3-(4-methylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]prop-2-enamide
CID 125042583

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide (CID 71880850) is N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide is Cc1c[nH]c(=O)n1-c1ccc(C(C)NC(=O)C=Cc2ccncc2)cc1.
What is the InChIKey of N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide?
The InChIKey is XNSQCXRGUULRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-13-22-20(26)24(14)18-6-4-17(5-7-18)15(2)23-19(25)8-3-16-9-11-21-12-10-16/h3-13,15H,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide?
N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide has a molecular weight of 348.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 71880850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).