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

C14H15N3O — CID 63189288

IUPAC4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridin-3-amine
SMILESNc1cnccc1N1CCOc2ccccc2C1
InChIInChI=1S/C14H15N3O/c15-12-9-16-6-5-13(12)17-7-8-18-14-4-2-1-3-11(14)10-17/h1-6,9H,7-8,10,15H2
InChIKeySAMQINNCRYGTMP-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.06
Rot. Bonds1

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

4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridin-3-amine (PubChem CID 63189288) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridin-3-amine
PubChem CID63189288
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridin-3-amine
SMILESNc1cnccc1N1CCOc2ccccc2C1
InChIInChI=1S/C14H15N3O/c15-12-9-16-6-5-13(12)17-7-8-18-14-4-2-1-3-11(14)10-17/h1-6,9H,7-8,10,15H2
InChIKeySAMQINNCRYGTMP-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridin-3-amine?
The IUPAC name of 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridin-3-amine (CID 63189288) is 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridin-3-amine.
What is the SMILES notation for 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridin-3-amine?
The canonical SMILES for 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridin-3-amine is Nc1cnccc1N1CCOc2ccccc2C1.
What is the InChIKey of 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridin-3-amine?
The InChIKey is SAMQINNCRYGTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-12-9-16-6-5-13(12)17-7-8-18-14-4-2-1-3-11(14)10-17/h1-6,9H,7-8,10,15H2.
What are the key properties of 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridin-3-amine?
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridin-3-amine has a molecular weight of 241.29 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridin-3-amine is sourced from PubChem (CID 63189288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).