11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

C26H35N5O2 — CID 14590403

IUPAC11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCCc1ccc2c(c1)C(=O)Nc1cccnc1N2C(=O)CN1CCCCC1CN(CC)CC
InChIInChI=1S/C26H35N5O2/c1-4-19-12-13-23-21(16-19)26(33)28-22-11-9-14-27-25(22)31(23)24(32)18-30-15-8-7-10-20(30)17-29(5-2)6-3/h9,11-14,16,20H,4-8,10,15,17-18H2,1-3H3,(H,28,33)
InChIKeyVZVIXQWQBRJQTH-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.07
Rot. Bonds7

About 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (PubChem CID 14590403) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
PubChem CID14590403
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCCc1ccc2c(c1)C(=O)Nc1cccnc1N2C(=O)CN1CCCCC1CN(CC)CC
InChIInChI=1S/C26H35N5O2/c1-4-19-12-13-23-21(16-19)26(33)28-22-11-9-14-27-25(22)31(23)24(32)18-30-15-8-7-10-20(30)17-29(5-2)6-3/h9,11-14,16,20H,4-8,10,15,17-18H2,1-3H3,(H,28,33)
InChIKeyVZVIXQWQBRJQTH-UHFFFAOYSA-N
XLogP4.07
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The IUPAC name of 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (CID 14590403) is 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The canonical SMILES for 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is CCc1ccc2c(c1)C(=O)Nc1cccnc1N2C(=O)CN1CCCCC1CN(CC)CC.
What is the InChIKey of 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The InChIKey is VZVIXQWQBRJQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-4-19-12-13-23-21(16-19)26(33)28-22-11-9-14-27-25(22)31(23)24(32)18-30-15-8-7-10-20(30)17-29(5-2)6-3/h9,11-14,16,20H,4-8,10,15,17-18H2,1-3H3,(H,28,33).
What are the key properties of 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one has a molecular weight of 449.60 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 14590403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).