2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridin-4-amine

C14H15N3O — CID 113366545

IUPAC2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridin-4-amine
SMILESNc1ccnc(N2CCCOc3ccccc32)c1
InChIInChI=1S/C14H15N3O/c15-11-6-7-16-14(10-11)17-8-3-9-18-13-5-2-1-4-12(13)17/h1-2,4-7,10H,3,8-9H2,(H2,15,16)
InChIKeyPVMLAFDRRYFIDK-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.58
Rot. Bonds1

About 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridin-4-amine

2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridin-4-amine (PubChem CID 113366545) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridin-4-amine
PubChem CID113366545
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridin-4-amine
SMILESNc1ccnc(N2CCCOc3ccccc32)c1
InChIInChI=1S/C14H15N3O/c15-11-6-7-16-14(10-11)17-8-3-9-18-13-5-2-1-4-12(13)17/h1-2,4-7,10H,3,8-9H2,(H2,15,16)
InChIKeyPVMLAFDRRYFIDK-UHFFFAOYSA-N
XLogP2.58
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridin-4-amine?
The IUPAC name of 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridin-4-amine (CID 113366545) is 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridin-4-amine is Nc1ccnc(N2CCCOc3ccccc32)c1.
What is the InChIKey of 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridin-4-amine?
The InChIKey is PVMLAFDRRYFIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-11-6-7-16-14(10-11)17-8-3-9-18-13-5-2-1-4-12(13)17/h1-2,4-7,10H,3,8-9H2,(H2,15,16).
What are the key properties of 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridin-4-amine?
2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridin-4-amine has a molecular weight of 241.29 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridin-4-amine is sourced from PubChem (CID 113366545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).