1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

C18H24N4O — CID 97391285

IUPAC1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCOCCN1CCN(c2cccc(C)n2)Cc2ccc(C)nc21
InChIInChI=1S/C18H24N4O/c1-14-5-4-6-17(19-14)22-10-9-21(11-12-23-3)18-16(13-22)8-7-15(2)20-18/h4-8H,9-13H2,1-3H3
InChIKeyVBHBMTJJMLMIPG-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.57
Rot. Bonds4

About 1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 97391285) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID97391285
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCOCCN1CCN(c2cccc(C)n2)Cc2ccc(C)nc21
InChIInChI=1S/C18H24N4O/c1-14-5-4-6-17(19-14)22-10-9-21(11-12-23-3)18-16(13-22)8-7-15(2)20-18/h4-8H,9-13H2,1-3H3
InChIKeyVBHBMTJJMLMIPG-UHFFFAOYSA-N
XLogP2.57
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 97391285) is 1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is COCCN1CCN(c2cccc(C)n2)Cc2ccc(C)nc21.
What is the InChIKey of 1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is VBHBMTJJMLMIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-5-4-6-17(19-14)22-10-9-21(11-12-23-3)18-16(13-22)8-7-15(2)20-18/h4-8H,9-13H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine has a molecular weight of 312.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 97391285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).