3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one

C17H16N4O — CID 101048802

IUPAC3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one
SMILESCc1ccc(C2=CNC(=O)CC(c3ccc(C)cn3)=N2)nc1
InChIInChI=1S/C17H16N4O/c1-11-3-5-13(18-8-11)15-7-17(22)20-10-16(21-15)14-6-4-12(2)9-19-14/h3-6,8-10H,7H2,1-2H3,(H,20,22)
InChIKeyHKUDVXJZZXOASD-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.40
Rot. Bonds2

About 3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one

3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one (PubChem CID 101048802) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one.

Molecular Properties

Compound Name3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one
PubChem CID101048802
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one
SMILESCc1ccc(C2=CNC(=O)CC(c3ccc(C)cn3)=N2)nc1
InChIInChI=1S/C17H16N4O/c1-11-3-5-13(18-8-11)15-7-17(22)20-10-16(21-15)14-6-4-12(2)9-19-14/h3-6,8-10H,7H2,1-2H3,(H,20,22)
InChIKeyHKUDVXJZZXOASD-UHFFFAOYSA-N
XLogP2.40
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-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

5-(5-methyl-2-pyridinyl)-3-pyridin-2-yl-1,6-dihydro-1,4-diazepin-7-one
CID 101048804
4-(5-methyl-2-pyridinyl)azetidin-2-one
CID 81319843
dichloroosmium;bis(5-methyl-2-(5-methyl-2-pyridinyl)pyridine)
CID 59404466
2-(5-methyl-2-pyridinyl)-4H-azepine
CID 144761207
5-bromo-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 81311951
2-(2,3-dihydro-1H-tetrazol-5-yl)-5-methylpyridine
CID 144548011
5-methyl-2-[3-methyl-5-(5-methyl-2-pyridinyl)phenyl]pyridine
CID 58637248
2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
CID 81312692
4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 81313246
5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 157240275
2-(5-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid
CID 71743310
2-(cyclopenten-1-yl)-5-methylpyridine
CID 57273992

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one?
The IUPAC name of 3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one (CID 101048802) is 3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one.
What is the SMILES notation for 3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one?
The canonical SMILES for 3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one is Cc1ccc(C2=CNC(=O)CC(c3ccc(C)cn3)=N2)nc1.
What is the InChIKey of 3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one?
The InChIKey is HKUDVXJZZXOASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-11-3-5-13(18-8-11)15-7-17(22)20-10-16(21-15)14-6-4-12(2)9-19-14/h3-6,8-10H,7H2,1-2H3,(H,20,22).
What are the key properties of 3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one?
3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one has a molecular weight of 292.34 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one is sourced from PubChem (CID 101048802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).