2-(pyridin-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one

C18H15N5O — CID 59851955

IUPAC2-(pyridin-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
SMILESO=C1Cc2cnc(NCc3ccccn3)nc2-c2ccccc2N1
InChIInChI=1S/C18H15N5O/c24-16-9-12-10-20-18(21-11-13-5-3-4-8-19-13)23-17(12)14-6-1-2-7-15(14)22-16/h1-8,10H,9,11H2,(H,22,24)(H,20,21,23)
InChIKeyUYXLRHOBHUNRMP-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.65
Rot. Bonds3

About 2-(pyridin-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one

2-(pyridin-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one (PubChem CID 59851955) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one.

Molecular Properties

Compound Name2-(pyridin-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
PubChem CID59851955
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2-(pyridin-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
SMILESO=C1Cc2cnc(NCc3ccccn3)nc2-c2ccccc2N1
InChIInChI=1S/C18H15N5O/c24-16-9-12-10-20-18(21-11-13-5-3-4-8-19-13)23-17(12)14-6-1-2-7-15(14)22-16/h1-8,10H,9,11H2,(H,22,24)(H,20,21,23)
InChIKeyUYXLRHOBHUNRMP-UHFFFAOYSA-N
XLogP2.65
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(pyridin-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2,6-dichlorophenyl)ethylamino]-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
CID 59852087
2-(4-methylanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
CID 45379491
2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylamino]-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
CID 59851513
2-[2-(5-bromo-2-methoxyphenyl)ethylamino]-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
CID 59851225
N,N-diethyl-4-[(6-oxo-5,7-dihydropyrimido[5,4-d][1]benzazepin-2-yl)amino]benzenesulfonamide
CID 59851084
2-(4-chloro-2-fluoroanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
CID 59851951
2-(4-hydroxy-2-methylanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
CID 45379608
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
CID 59852249
5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451706
2-[(2,6-dimethoxy-3-pyridinyl)amino]-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
CID 59851167
4-[(6-oxo-5,7-dihydropyrimido[5,4-d][1]benzazepin-2-yl)amino]-N-phenylbenzenesulfonamide
CID 59851837
9-chloro-2-(furan-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
CID 59851507

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one?
The IUPAC name of 2-(pyridin-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one (CID 59851955) is 2-(pyridin-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one.
What is the SMILES notation for 2-(pyridin-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one?
The canonical SMILES for 2-(pyridin-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one is O=C1Cc2cnc(NCc3ccccn3)nc2-c2ccccc2N1.
What is the InChIKey of 2-(pyridin-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one?
The InChIKey is UYXLRHOBHUNRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c24-16-9-12-10-20-18(21-11-13-5-3-4-8-19-13)23-17(12)14-6-1-2-7-15(14)22-16/h1-8,10H,9,11H2,(H,22,24)(H,20,21,23).
What are the key properties of 2-(pyridin-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one?
2-(pyridin-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one has a molecular weight of 317.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one is sourced from PubChem (CID 59851955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).