N-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl)-4-phenoxypyridine-2-carboxamide

C23H19N5O2 — CID 162696715

IUPACN-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl)-4-phenoxypyridine-2-carboxamide
SMILESO=C(NC1CCc2ccccc2-n2cnnc21)c1cc(Oc2ccccc2)ccn1
InChIInChI=1S/C23H19N5O2/c29-23(20-14-18(12-13-24-20)30-17-7-2-1-3-8-17)26-19-11-10-16-6-4-5-9-21(16)28-15-25-27-22(19)28/h1-9,12-15,19H,10-11H2,(H,26,29)
InChIKeyRMIGGJAWRSCZLB-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.87
Rot. Bonds4

About N-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl)-4-phenoxypyridine-2-carboxamide

N-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl)-4-phenoxypyridine-2-carboxamide (PubChem CID 162696715) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl)-4-phenoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl)-4-phenoxypyridine-2-carboxamide
PubChem CID162696715
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC NameN-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl)-4-phenoxypyridine-2-carboxamide
SMILESO=C(NC1CCc2ccccc2-n2cnnc21)c1cc(Oc2ccccc2)ccn1
InChIInChI=1S/C23H19N5O2/c29-23(20-14-18(12-13-24-20)30-17-7-2-1-3-8-17)26-19-11-10-16-6-4-5-9-21(16)28-15-25-27-22(19)28/h1-9,12-15,19H,10-11H2,(H,26,29)
InChIKeyRMIGGJAWRSCZLB-UHFFFAOYSA-N
XLogP3.87
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl)-4-phenoxypyridine-2-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl)-4-phenoxypyridine-2-carboxamide (CID 162696715) is N-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl)-4-phenoxypyridine-2-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl)-4-phenoxypyridine-2-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl)-4-phenoxypyridine-2-carboxamide is O=C(NC1CCc2ccccc2-n2cnnc21)c1cc(Oc2ccccc2)ccn1.
What is the InChIKey of N-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl)-4-phenoxypyridine-2-carboxamide?
The InChIKey is RMIGGJAWRSCZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c29-23(20-14-18(12-13-24-20)30-17-7-2-1-3-8-17)26-19-11-10-16-6-4-5-9-21(16)28-15-25-27-22(19)28/h1-9,12-15,19H,10-11H2,(H,26,29).
What are the key properties of N-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl)-4-phenoxypyridine-2-carboxamide?
N-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl)-4-phenoxypyridine-2-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl)-4-phenoxypyridine-2-carboxamide is sourced from PubChem (CID 162696715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).