N-(3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl)benzamide

C21H17N3O2 — CID 818877

IUPACN-(3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl)benzamide
SMILESO=C(Nc1ccccc1)C(=Cc1ccncc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H17N3O2/c25-20(17-7-3-1-4-8-17)24-19(15-16-11-13-22-14-12-16)21(26)23-18-9-5-2-6-10-18/h1-15H,(H,23,26)(H,24,25)
InChIKeyNLKOVOOVLHXJGZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.49
Rot. Bonds5

About N-(3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl)benzamide

N-(3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl)benzamide (PubChem CID 818877) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl)benzamide
PubChem CID818877
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-(3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl)benzamide
SMILESO=C(Nc1ccccc1)C(=Cc1ccncc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H17N3O2/c25-20(17-7-3-1-4-8-17)24-19(15-16-11-13-22-14-12-16)21(26)23-18-9-5-2-6-10-18/h1-15H,(H,23,26)(H,24,25)
InChIKeyNLKOVOOVLHXJGZ-UHFFFAOYSA-N
XLogP3.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Daporinad
CID 6914657
Nifenazone
CID 4487
Lgh-447
CID 44814409
Tucidinostat
CID 12136798
3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
Srpin340
CID 2797577
CR665
CID 25030387
Jnj-31020028
CID 25134625
N-(4-pyridyl)benzamide
CID 78893
6-(Phenylamino)-5,8-quinolinedione
CID 3976
Nicotinanilide
CID 74463
N-Benzoyl-N'-(3-pyridinyl)thiourea
CID 682329

Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl)benzamide?
The IUPAC name of N-(3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl)benzamide (CID 818877) is N-(3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl)benzamide.
What is the SMILES notation for N-(3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl)benzamide?
The canonical SMILES for N-(3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl)benzamide is O=C(Nc1ccccc1)C(=Cc1ccncc1)NC(=O)c1ccccc1.
What is the InChIKey of N-(3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl)benzamide?
The InChIKey is NLKOVOOVLHXJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-20(17-7-3-1-4-8-17)24-19(15-16-11-13-22-14-12-16)21(26)23-18-9-5-2-6-10-18/h1-15H,(H,23,26)(H,24,25).
What are the key properties of N-(3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl)benzamide?
N-(3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl)benzamide has a molecular weight of 343.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-3-oxo-1-pyridin-4-ylprop-1-en-2-yl)benzamide is sourced from PubChem (CID 818877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).