(E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide

C20H20N4O — CID 95304316

IUPAC(E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide
SMILESCC[C@@H](NC(=O)/C=C/c1cccnc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C20H20N4O/c1-2-17(23-19(25)11-10-15-7-6-12-21-13-15)20-22-14-18(24-20)16-8-4-3-5-9-16/h3-14,17H,2H2,1H3,(H,22,24)(H,23,25)/b11-10+/t17-/m1/s1
InChIKeyKPYVDSMFFBMEEE-SXSDINLZSA-N
MW332.41 g/mol
LogP3.75
Rot. Bonds6

About (E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 95304316) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID95304316
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide
SMILESCC[C@@H](NC(=O)/C=C/c1cccnc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C20H20N4O/c1-2-17(23-19(25)11-10-15-7-6-12-21-13-15)20-22-14-18(24-20)16-8-4-3-5-9-16/h3-14,17H,2H2,1H3,(H,22,24)(H,23,25)/b11-10+/t17-/m1/s1
InChIKeyKPYVDSMFFBMEEE-SXSDINLZSA-N
XLogP3.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide with MolForge

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Related Compounds

N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide
CID 171135015
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]prop-2-enamide
CID 47074568
N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide
CID 76988075
(E)-N-[(2R)-1-hydroxybutan-2-yl]-3-pyridin-3-ylprop-2-enamide
CID 103919982
2-[methyl(pyrazin-2-yl)amino]-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]acetamide
CID 51128541
(2R)-3-hydroxy-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoic acid
CID 80750784
N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide
CID 51128542
N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide
CID 94814571
molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 168909780
(2S)-4-hydroxy-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid
CID 114004802
3-(5-pyridin-3-yl-1H-imidazol-2-yl)butanoic acid
CID 116878820
2-[(3-pyridin-3-ylprop-2-enoylamino)methyl]butanoic acid
CID 77061172

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide (CID 95304316) is (E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide is CC[C@@H](NC(=O)/C=C/c1cccnc1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of (E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is KPYVDSMFFBMEEE-SXSDINLZSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-17(23-19(25)11-10-15-7-6-12-21-13-15)20-22-14-18(24-20)16-8-4-3-5-9-16/h3-14,17H,2H2,1H3,(H,22,24)(H,23,25)/b11-10+/t17-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 332.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 95304316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).