4-cyclopropyl-9-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one

C12H15N3O — CID 82002454

IUPAC4-cyclopropyl-9-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
SMILESCc1ccnc2c1NC(=O)CC(C1CC1)N2
InChIInChI=1S/C12H15N3O/c1-7-4-5-13-12-11(7)15-10(16)6-9(14-12)8-2-3-8/h4-5,8-9H,2-3,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyGVJAFPANNLXYCU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.92
Rot. Bonds1

About 4-cyclopropyl-9-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one

4-cyclopropyl-9-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one (PubChem CID 82002454) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-cyclopropyl-9-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-9-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
PubChem CID82002454
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-cyclopropyl-9-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
SMILESCc1ccnc2c1NC(=O)CC(C1CC1)N2
InChIInChI=1S/C12H15N3O/c1-7-4-5-13-12-11(7)15-10(16)6-9(14-12)8-2-3-8/h4-5,8-9H,2-3,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyGVJAFPANNLXYCU-UHFFFAOYSA-N
XLogP1.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-9-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The IUPAC name of 4-cyclopropyl-9-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one (CID 82002454) is 4-cyclopropyl-9-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one.
What is the SMILES notation for 4-cyclopropyl-9-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The canonical SMILES for 4-cyclopropyl-9-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one is Cc1ccnc2c1NC(=O)CC(C1CC1)N2.
What is the InChIKey of 4-cyclopropyl-9-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The InChIKey is GVJAFPANNLXYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7-4-5-13-12-11(7)15-10(16)6-9(14-12)8-2-3-8/h4-5,8-9H,2-3,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-cyclopropyl-9-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
4-cyclopropyl-9-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-9-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one is sourced from PubChem (CID 82002454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).