3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide

C21H16N2O2 — CID 3825702

IUPAC3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(C(=O)c2ccncc2)cc1
InChIInChI=1S/C21H16N2O2/c24-20(11-6-16-4-2-1-3-5-16)23-19-9-7-17(8-10-19)21(25)18-12-14-22-15-13-18/h1-15H,(H,23,24)
InChIKeyGAAIZBVQRUGWHC-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.96
Rot. Bonds5

About 3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide

3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide (PubChem CID 3825702) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide
PubChem CID3825702
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(C(=O)c2ccncc2)cc1
InChIInChI=1S/C21H16N2O2/c24-20(11-6-16-4-2-1-3-5-16)23-19-9-7-17(8-10-19)21(25)18-12-14-22-15-13-18/h1-15H,(H,23,24)
InChIKeyGAAIZBVQRUGWHC-UHFFFAOYSA-N
XLogP3.96
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.96
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

3-(3,4-dimethoxyphenyl)-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide
CID 991012
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
4-(3-anilino-3-oxoprop-1-enyl)benzamide
CID 77047630
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
(Z)-4-oxo-4-[4-[(E)-3-phenylprop-2-enoyl]anilino]but-2-enoic acid
CID 11099271
(E)-4-(4-benzoylanilino)-4-oxobut-2-enoic acid
CID 707781
(Z)-N-[4-[2,6-bis[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]pyrimidin-4-yl]phenyl]-3-phenylprop-2-enamide
CID 99690618
4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide
CID 2173598
4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,2,4-triazol-4-yl)benzamide
CID 21369460
(E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-one
CID 5355548
4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 6091158
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide?
The IUPAC name of 3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide (CID 3825702) is 3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide is O=C(C=Cc1ccccc1)Nc1ccc(C(=O)c2ccncc2)cc1.
What is the InChIKey of 3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide?
The InChIKey is GAAIZBVQRUGWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-20(11-6-16-4-2-1-3-5-16)23-19-9-7-17(8-10-19)21(25)18-12-14-22-15-13-18/h1-15H,(H,23,24).
What are the key properties of 3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide?
3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide has a molecular weight of 328.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 3825702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).