5-ethyl-4,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one

C12H17N3O — CID 81136696

IUPAC5-ethyl-4,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
SMILESCCN1c2nc(C)ccc2NC(=O)CC1C
InChIInChI=1S/C12H17N3O/c1-4-15-9(3)7-11(16)14-10-6-5-8(2)13-12(10)15/h5-6,9H,4,7H2,1-3H3,(H,14,16)
InChIKeyAUJTVYNPAVJFHW-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.95
Rot. Bonds1

About 5-ethyl-4,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one

5-ethyl-4,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one (PubChem CID 81136696) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-ethyl-4,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one.

Molecular Properties

Compound Name5-ethyl-4,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
PubChem CID81136696
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-ethyl-4,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
SMILESCCN1c2nc(C)ccc2NC(=O)CC1C
InChIInChI=1S/C12H17N3O/c1-4-15-9(3)7-11(16)14-10-6-5-8(2)13-12(10)15/h5-6,9H,4,7H2,1-3H3,(H,14,16)
InChIKeyAUJTVYNPAVJFHW-UHFFFAOYSA-N
XLogP1.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one?
The IUPAC name of 5-ethyl-4,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one (CID 81136696) is 5-ethyl-4,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one.
What is the SMILES notation for 5-ethyl-4,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one?
The canonical SMILES for 5-ethyl-4,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one is CCN1c2nc(C)ccc2NC(=O)CC1C.
What is the InChIKey of 5-ethyl-4,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one?
The InChIKey is AUJTVYNPAVJFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-15-9(3)7-11(16)14-10-6-5-8(2)13-12(10)15/h5-6,9H,4,7H2,1-3H3,(H,14,16).
What are the key properties of 5-ethyl-4,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one?
5-ethyl-4,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,7-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one is sourced from PubChem (CID 81136696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).