2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide

C22H20N4O2 — CID 176781456

IUPAC2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide
SMILES[H]/N=C(\C)C(C(=O)Nc1ccccc1)C(=O)Nc1cccc(-c2ccncc2)c1
InChIInChI=1S/C22H20N4O2/c1-15(23)20(21(27)25-18-7-3-2-4-8-18)22(28)26-19-9-5-6-17(14-19)16-10-12-24-13-11-16/h2-14,20,23H,1H3,(H,25,27)(H,26,28)/b23-15+
InChIKeyPWGJQRXRYAHCJY-HZHRSRAPSA-N
MW372.43 g/mol
LogP3.98
Rot. Bonds6

About 2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide

2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide (PubChem CID 176781456) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide.

Molecular Properties

Compound Name2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide
PubChem CID176781456
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide
SMILES[H]/N=C(\C)C(C(=O)Nc1ccccc1)C(=O)Nc1cccc(-c2ccncc2)c1
InChIInChI=1S/C22H20N4O2/c1-15(23)20(21(27)25-18-7-3-2-4-8-18)22(28)26-19-9-5-6-17(14-19)16-10-12-24-13-11-16/h2-14,20,23H,1H3,(H,25,27)(H,26,28)/b23-15+
InChIKeyPWGJQRXRYAHCJY-HZHRSRAPSA-N
XLogP3.98
TPSA94.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[3-imino-2-[(3-pyrazin-2-ylphenyl)carbamoyl]butanoyl]amino]benzoate
CID 176781423
N-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide
CID 176781463
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523
N-phenyl-3-pyridin-4-ylaniline
CID 118505949
(3-phenylphenyl)carbamic acid
CID 611602
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(3-pyridin-4-ylanilino)propan-2-yl]carbamate
CID 71490875
2-acetyl-N-phenyl-3-(pyridin-4-ylmethylamino)pentanamide
CID 174898603
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
(2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide
CID 67497743
N-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen
CID 155721712
5-amino-2-methyl-N-(3-phenylphenyl)pentanamide
CID 143299343
[(2S)-3-(3,4-difluorophenyl)-1-oxo-1-(3-pyridin-4-ylanilino)propan-2-yl]carbamic acid
CID 67497141

Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide?
The IUPAC name of 2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide (CID 176781456) is 2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide.
What is the SMILES notation for 2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide?
The canonical SMILES for 2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide is [H]/N=C(\C)C(C(=O)Nc1ccccc1)C(=O)Nc1cccc(-c2ccncc2)c1.
What is the InChIKey of 2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide?
The InChIKey is PWGJQRXRYAHCJY-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15(23)20(21(27)25-18-7-3-2-4-8-18)22(28)26-19-9-5-6-17(14-19)16-10-12-24-13-11-16/h2-14,20,23H,1H3,(H,25,27)(H,26,28)/b23-15+.
What are the key properties of 2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide?
2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide has a molecular weight of 372.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide is sourced from PubChem (CID 176781456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).