1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide

C16H15N3O3 — CID 142413626

IUPAC1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccc(O)cc1)C1(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C16H15N3O3/c20-12-6-4-11(5-7-12)18-14(21)16(8-9-16)15(22)19-13-3-1-2-10-17-13/h1-7,10,20H,8-9H2,(H,18,21)(H,17,19,22)
InChIKeyYSSFJXBNEZAVSV-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.14
Rot. Bonds4

About 1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide

1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide (PubChem CID 142413626) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide
PubChem CID142413626
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccc(O)cc1)C1(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C16H15N3O3/c20-12-6-4-11(5-7-12)18-14(21)16(8-9-16)15(22)19-13-3-1-2-10-17-13/h1-7,10,20H,8-9H2,(H,18,21)(H,17,19,22)
InChIKeyYSSFJXBNEZAVSV-UHFFFAOYSA-N
XLogP2.14
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide (CID 142413626) is 1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide is O=C(Nc1ccc(O)cc1)C1(C(=O)Nc2ccccn2)CC1.
What is the InChIKey of 1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide?
The InChIKey is YSSFJXBNEZAVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-12-6-4-11(5-7-12)18-14(21)16(8-9-16)15(22)19-13-3-1-2-10-17-13/h1-7,10,20H,8-9H2,(H,18,21)(H,17,19,22).
What are the key properties of 1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide?
1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 142413626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).