2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide

C23H22N4O2 — CID 11372587

IUPAC2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide
SMILESCC(C)c1ccc(C=C(C(=O)Nc2ccccn2)C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C23H22N4O2/c1-16(2)18-11-9-17(10-12-18)15-19(22(28)26-20-7-3-5-13-24-20)23(29)27-21-8-4-6-14-25-21/h3-16H,1-2H3,(H,24,26,28)(H,25,27,29)
InChIKeyWAKKYONWLPGQBP-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.26
Rot. Bonds6

About 2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide

2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide (PubChem CID 11372587) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide
PubChem CID11372587
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide
SMILESCC(C)c1ccc(C=C(C(=O)Nc2ccccn2)C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C23H22N4O2/c1-16(2)18-11-9-17(10-12-18)15-19(22(28)26-20-7-3-5-13-24-20)23(29)27-21-8-4-6-14-25-21/h3-16H,1-2H3,(H,24,26,28)(H,25,27,29)
InChIKeyWAKKYONWLPGQBP-UHFFFAOYSA-N
XLogP4.26
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide
CID 2445487
(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide
CID 8022996
(2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3-imino-N-pyridin-2-ylbutanamide
CID 145487170
N,N'-bis(3,4-dimethylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide
CID 3331137
(Z)-2-cyano-N-(4-propan-2-ylphenyl)-3-(pyridin-2-ylamino)prop-2-enamide
CID 108820717
N-(2-hydroxypropyl)-N'-pyridin-2-yloxamide
CID 44999298
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-imino-N-pyridin-2-ylbutanamide
CID 145487171
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide
CID 18859946
(E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide
CID 173270130
2-formyl-N,3-dipyridin-2-ylprop-2-enamide
CID 54041980
dipropan-2-yl 2-[(4-propan-2-ylphenyl)methylidene]propanedioate
CID 170549900

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide?
The IUPAC name of 2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide (CID 11372587) is 2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide.
What is the SMILES notation for 2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide?
The canonical SMILES for 2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide is CC(C)c1ccc(C=C(C(=O)Nc2ccccn2)C(=O)Nc2ccccn2)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide?
The InChIKey is WAKKYONWLPGQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-16(2)18-11-9-17(10-12-18)15-19(22(28)26-20-7-3-5-13-24-20)23(29)27-21-8-4-6-14-25-21/h3-16H,1-2H3,(H,24,26,28)(H,25,27,29).
What are the key properties of 2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide?
2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide has a molecular weight of 386.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide is sourced from PubChem (CID 11372587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).