4-(furan-2-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

C15H19N3O — CID 97469080

IUPAC4-(furan-2-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc2c(n1)N(C)CCN(Cc1ccco1)C2
InChIInChI=1S/C15H19N3O/c1-12-5-6-13-10-18(11-14-4-3-9-19-14)8-7-17(2)15(13)16-12/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyIJXJPSSJGHNYAJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.44
Rot. Bonds2

About 4-(furan-2-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

4-(furan-2-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 97469080) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID97469080
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(furan-2-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc2c(n1)N(C)CCN(Cc1ccco1)C2
InChIInChI=1S/C15H19N3O/c1-12-5-6-13-10-18(11-14-4-3-9-19-14)8-7-17(2)15(13)16-12/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyIJXJPSSJGHNYAJ-UHFFFAOYSA-N
XLogP2.44
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 4-(furan-2-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 97469080) is 4-(furan-2-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 4-(furan-2-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 4-(furan-2-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is Cc1ccc2c(n1)N(C)CCN(Cc1ccco1)C2.
What is the InChIKey of 4-(furan-2-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is IJXJPSSJGHNYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-5-6-13-10-18(11-14-4-3-9-19-14)8-7-17(2)15(13)16-12/h3-6,9H,7-8,10-11H2,1-2H3.
What are the key properties of 4-(furan-2-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
4-(furan-2-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine has a molecular weight of 257.34 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 97469080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).