1-methyl-4-[(5-methylfuran-2-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

C15H19N3O — CID 97468881

IUPAC1-methyl-4-[(5-methylfuran-2-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc(CN2CCN(C)c3ncccc3C2)o1
InChIInChI=1S/C15H19N3O/c1-12-5-6-14(19-12)11-18-9-8-17(2)15-13(10-18)4-3-7-16-15/h3-7H,8-11H2,1-2H3
InChIKeyOMFBCWAJMTYUHV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.44
Rot. Bonds2

About 1-methyl-4-[(5-methylfuran-2-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

1-methyl-4-[(5-methylfuran-2-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 97468881) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-methyl-4-[(5-methylfuran-2-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name1-methyl-4-[(5-methylfuran-2-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID97468881
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-methyl-4-[(5-methylfuran-2-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc(CN2CCN(C)c3ncccc3C2)o1
InChIInChI=1S/C15H19N3O/c1-12-5-6-14(19-12)11-18-9-8-17(2)15-13(10-18)4-3-7-16-15/h3-7H,8-11H2,1-2H3
InChIKeyOMFBCWAJMTYUHV-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 1-methyl-4-[(5-methylfuran-2-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 1-methyl-4-[(5-methylfuran-2-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 97468881) is 1-methyl-4-[(5-methylfuran-2-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 1-methyl-4-[(5-methylfuran-2-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 1-methyl-4-[(5-methylfuran-2-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is Cc1ccc(CN2CCN(C)c3ncccc3C2)o1.
What is the InChIKey of 1-methyl-4-[(5-methylfuran-2-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is OMFBCWAJMTYUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-5-6-14(19-12)11-18-9-8-17(2)15-13(10-18)4-3-7-16-15/h3-7H,8-11H2,1-2H3.
What are the key properties of 1-methyl-4-[(5-methylfuran-2-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
1-methyl-4-[(5-methylfuran-2-yl)methyl]-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 1-methyl-4-[(5-methylfuran-2-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 97468881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).