2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide

C28H23N3O2 — CID 17200377

IUPAC2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1cccnc1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23N3O2/c32-27(30-20-22-12-9-17-29-19-22)24-15-7-8-16-26(24)31-28(33)25(23-13-5-2-6-14-23)18-21-10-3-1-4-11-21/h1-19H,20H2,(H,30,32)(H,31,33)/b25-18-
InChIKeyNJURGIOJEMESME-BWAHOGKJSA-N
MW433.51 g/mol
LogP5.19
Rot. Bonds7

About 2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide

2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 17200377) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID17200377
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC Name2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1cccnc1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23N3O2/c32-27(30-20-22-12-9-17-29-19-22)24-15-7-8-16-26(24)31-28(33)25(23-13-5-2-6-14-23)18-21-10-3-1-4-11-21/h1-19H,20H2,(H,30,32)(H,31,33)/b25-18-
InChIKeyNJURGIOJEMESME-BWAHOGKJSA-N
XLogP5.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
2-[(4-fluorophenyl)carbamothioylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 100641344
2-[(4-methylphenyl)carbamothioylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 100639374
N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide
CID 51815485
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 749217
2-[(3-chlorobenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 6457396
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
(E)-3-[4-(difluoromethoxy)phenyl]-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 2310363
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 889128
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 120565146

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide (CID 17200377) is 2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide is O=C(Nc1ccccc1C(=O)NCc1cccnc1)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is NJURGIOJEMESME-BWAHOGKJSA-N. The full InChI is InChI=1S/C28H23N3O2/c32-27(30-20-22-12-9-17-29-19-22)24-15-7-8-16-26(24)31-28(33)25(23-13-5-2-6-14-23)18-21-10-3-1-4-11-21/h1-19H,20H2,(H,30,32)(H,31,33)/b25-18-.
What are the key properties of 2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 433.51 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 17200377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).