N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-2-amine;3-(pyridin-2-ylamino)benzaldehyde

C26H24N4O3 — CID 158981449

IUPACN-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-2-amine;3-(pyridin-2-ylamino)benzaldehyde
SMILESO=Cc1cccc(Nc2ccccn2)c1.c1ccc(Nc2cccc(C3OCCO3)c2)nc1
InChIInChI=1S/C14H14N2O2.C12H10N2O/c1-2-7-15-13(6-1)16-12-5-3-4-11(10-12)14-17-8-9-18-14;15-9-10-4-3-5-11(8-10)14-12-6-1-2-7-13-12/h1-7,10,14H,8-9H2,(H,15,16);1-9H,(H,13,14)
InChIKeyJPBBANUBIRKNJL-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.51
Rot. Bonds6

About N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-2-amine;3-(pyridin-2-ylamino)benzaldehyde

N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-2-amine;3-(pyridin-2-ylamino)benzaldehyde (PubChem CID 158981449) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-2-amine;3-(pyridin-2-ylamino)benzaldehyde.

Molecular Properties

Compound NameN-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-2-amine;3-(pyridin-2-ylamino)benzaldehyde
PubChem CID158981449
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-2-amine;3-(pyridin-2-ylamino)benzaldehyde
SMILESO=Cc1cccc(Nc2ccccn2)c1.c1ccc(Nc2cccc(C3OCCO3)c2)nc1
InChIInChI=1S/C14H14N2O2.C12H10N2O/c1-2-7-15-13(6-1)16-12-5-3-4-11(10-12)14-17-8-9-18-14;15-9-10-4-3-5-11(8-10)14-12-6-1-2-7-13-12/h1-7,10,14H,8-9H2,(H,15,16);1-9H,(H,13,14)
InChIKeyJPBBANUBIRKNJL-UHFFFAOYSA-N
XLogP5.51
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-2-amine;3-(pyridin-2-ylamino)benzaldehyde?
The IUPAC name of N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-2-amine;3-(pyridin-2-ylamino)benzaldehyde (CID 158981449) is N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-2-amine;3-(pyridin-2-ylamino)benzaldehyde.
What is the SMILES notation for N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-2-amine;3-(pyridin-2-ylamino)benzaldehyde?
The canonical SMILES for N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-2-amine;3-(pyridin-2-ylamino)benzaldehyde is O=Cc1cccc(Nc2ccccn2)c1.c1ccc(Nc2cccc(C3OCCO3)c2)nc1.
What is the InChIKey of N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-2-amine;3-(pyridin-2-ylamino)benzaldehyde?
The InChIKey is JPBBANUBIRKNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2.C12H10N2O/c1-2-7-15-13(6-1)16-12-5-3-4-11(10-12)14-17-8-9-18-14;15-9-10-4-3-5-11(8-10)14-12-6-1-2-7-13-12/h1-7,10,14H,8-9H2,(H,15,16);1-9H,(H,13,14).
What are the key properties of N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-2-amine;3-(pyridin-2-ylamino)benzaldehyde?
N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-2-amine;3-(pyridin-2-ylamino)benzaldehyde has a molecular weight of 440.50 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-2-amine;3-(pyridin-2-ylamino)benzaldehyde is sourced from PubChem (CID 158981449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).