N-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]pyridine-3-carboxamide

C22H16N2O4 — CID 134922254

IUPACN-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]pyridine-3-carboxamide
SMILESO=C(NC(=O)c1cccnc1)/C(C(=O)c1ccccc1)=C(\O)c1ccccc1
InChIInChI=1S/C22H16N2O4/c25-19(15-8-3-1-4-9-15)18(20(26)16-10-5-2-6-11-16)22(28)24-21(27)17-12-7-13-23-14-17/h1-14,25H,(H,24,27,28)/b19-18-
InChIKeyULXJAEGRXKADEJ-HNENSFHCSA-N
MW372.38 g/mol
LogP3.19
Rot. Bonds5

About N-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]pyridine-3-carboxamide

N-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]pyridine-3-carboxamide (PubChem CID 134922254) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]pyridine-3-carboxamide
PubChem CID134922254
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC NameN-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]pyridine-3-carboxamide
SMILESO=C(NC(=O)c1cccnc1)/C(C(=O)c1ccccc1)=C(\O)c1ccccc1
InChIInChI=1S/C22H16N2O4/c25-19(15-8-3-1-4-9-15)18(20(26)16-10-5-2-6-11-16)22(28)24-21(27)17-12-7-13-23-14-17/h1-14,25H,(H,24,27,28)/b19-18-
InChIKeyULXJAEGRXKADEJ-HNENSFHCSA-N
XLogP3.19
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

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CID 11566404
3'-hydroxy-N-[4-(3-pyridinyl)butyl][1,1'-biphenyl]-4-carboxamide
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Anthranilic acid, N-nicotinoyl-
CID 201533
N-Nicotinoyl tyramine
CID 3043417
N-[1-[8-(3-Amino-propylamino)-octylcarbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-nicotinamide
CID 44368886
4-[Hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 56669308
1-hydroxy-1-(3-octylphenyl)-2H-pyrrolo[3,4-c]pyridin-3-one
CID 44184312
1-(3-dodecylphenyl)-1-hydroxy-2H-pyrrolo[3,4-c]pyridin-3-one
CID 44184467
US8609678, 4-(hydroxy(phenyl)(pyridin-4-yl)methyl)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide [78]
CID 53340310
US8609678, 4-(hydroxy(phenyl)(pyridin-4-yl)methyl)-N-(7-(hydroxyamino)-7-oxoheptyl)-N-methylbenzamide [98]
CID 87356069
3-(Pyridine-3-amido)benzoic acid
CID 1132617
2'-[(Pyridin-3-ylmethyl)carbamoyl]biphenyl-2-carboxylic acid
CID 759757

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]pyridine-3-carboxamide (CID 134922254) is N-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]pyridine-3-carboxamide is O=C(NC(=O)c1cccnc1)/C(C(=O)c1ccccc1)=C(\O)c1ccccc1.
What is the InChIKey of N-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]pyridine-3-carboxamide?
The InChIKey is ULXJAEGRXKADEJ-HNENSFHCSA-N. The full InChI is InChI=1S/C22H16N2O4/c25-19(15-8-3-1-4-9-15)18(20(26)16-10-5-2-6-11-16)22(28)24-21(27)17-12-7-13-23-14-17/h1-14,25H,(H,24,27,28)/b19-18-.
What are the key properties of N-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]pyridine-3-carboxamide?
N-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]pyridine-3-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]pyridine-3-carboxamide is sourced from PubChem (CID 134922254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).