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

C16H14N4O — CID 101048804

IUPAC5-(5-methyl-2-pyridinyl)-3-pyridin-2-yl-1,6-dihydro-1,4-diazepin-7-one
SMILESCc1ccc(C2=NC(c3ccccn3)=CNC(=O)C2)nc1
InChIInChI=1S/C16H14N4O/c1-11-5-6-13(18-9-11)14-8-16(21)19-10-15(20-14)12-4-2-3-7-17-12/h2-7,9-10H,8H2,1H3,(H,19,21)
InChIKeyOYBXXUWIUKCRGN-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.09
Rot. Bonds2

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

5-(5-methyl-2-pyridinyl)-3-pyridin-2-yl-1,6-dihydro-1,4-diazepin-7-one (PubChem CID 101048804) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-(5-methyl-2-pyridinyl)-3-pyridin-2-yl-1,6-dihydro-1,4-diazepin-7-one.

Molecular Properties

Compound Name5-(5-methyl-2-pyridinyl)-3-pyridin-2-yl-1,6-dihydro-1,4-diazepin-7-one
PubChem CID101048804
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name5-(5-methyl-2-pyridinyl)-3-pyridin-2-yl-1,6-dihydro-1,4-diazepin-7-one
SMILESCc1ccc(C2=NC(c3ccccn3)=CNC(=O)C2)nc1
InChIInChI=1S/C16H14N4O/c1-11-5-6-13(18-9-11)14-8-16(21)19-10-15(20-14)12-4-2-3-7-17-12/h2-7,9-10H,8H2,1H3,(H,19,21)
InChIKeyOYBXXUWIUKCRGN-UHFFFAOYSA-N
XLogP2.09
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one
CID 101048802
2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 58261693
3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine
CID 101109950
bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 58637296
2-(2H-azirin-3-yl)pyridine
CID 123655147
2-(5-pyridin-2-yl-4H-pyrazol-3-yl)pyridine
CID 58175901
2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one
CID 114763827
2-(4-methylphenyl)pyridine;silver
CID 121395993
iridium;5-methyl-2-phenylpyridine;6-pyridin-2-ylpyrimidin-1-ide-2,4-dione
CID 171434089
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
CID 166035043
2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine
CID 158954454
pentakis(iridium);pentakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);bis(5-methyl-2-phenylpyridine)
CID 159709383

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-pyridinyl)-3-pyridin-2-yl-1,6-dihydro-1,4-diazepin-7-one?
The IUPAC name of 5-(5-methyl-2-pyridinyl)-3-pyridin-2-yl-1,6-dihydro-1,4-diazepin-7-one (CID 101048804) is 5-(5-methyl-2-pyridinyl)-3-pyridin-2-yl-1,6-dihydro-1,4-diazepin-7-one.
What is the SMILES notation for 5-(5-methyl-2-pyridinyl)-3-pyridin-2-yl-1,6-dihydro-1,4-diazepin-7-one?
The canonical SMILES for 5-(5-methyl-2-pyridinyl)-3-pyridin-2-yl-1,6-dihydro-1,4-diazepin-7-one is Cc1ccc(C2=NC(c3ccccn3)=CNC(=O)C2)nc1.
What is the InChIKey of 5-(5-methyl-2-pyridinyl)-3-pyridin-2-yl-1,6-dihydro-1,4-diazepin-7-one?
The InChIKey is OYBXXUWIUKCRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-5-6-13(18-9-11)14-8-16(21)19-10-15(20-14)12-4-2-3-7-17-12/h2-7,9-10H,8H2,1H3,(H,19,21).
What are the key properties of 5-(5-methyl-2-pyridinyl)-3-pyridin-2-yl-1,6-dihydro-1,4-diazepin-7-one?
5-(5-methyl-2-pyridinyl)-3-pyridin-2-yl-1,6-dihydro-1,4-diazepin-7-one has a molecular weight of 278.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2-pyridinyl)-3-pyridin-2-yl-1,6-dihydro-1,4-diazepin-7-one is sourced from PubChem (CID 101048804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).