N-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide

C30H33N5O3 — CID 14374305

IUPACN-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide
SMILESCN(CCCC1CCCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1)C(=O)c1ccccc1
InChIInChI=1S/C30H33N5O3/c1-33(30(38)23-12-3-2-4-13-23)18-8-10-22-11-9-19-34(20-22)21-27(36)35-26-16-6-5-14-24(26)29(37)32-25-15-7-17-31-28(25)35/h2-7,12-17,22H,8-11,18-21H2,1H3,(H,32,37)
InChIKeyXILXRZDSAIJLEF-UHFFFAOYSA-N
MW511.63 g/mol
LogP4.58
Rot. Bonds7

About N-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide

N-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide (PubChem CID 14374305) has the molecular formula C30H33N5O3 and a molecular weight of 511.63 g/mol. Its IUPAC name is N-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide
PubChem CID14374305
Molecular FormulaC30H33N5O3
Molecular Weight511.63 g/mol
Exact Mass511.26
IUPAC NameN-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide
SMILESCN(CCCC1CCCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1)C(=O)c1ccccc1
InChIInChI=1S/C30H33N5O3/c1-33(30(38)23-12-3-2-4-13-23)18-8-10-22-11-9-19-34(20-22)21-27(36)35-26-16-6-5-14-24(26)29(37)32-25-15-7-17-31-28(25)35/h2-7,12-17,22H,8-11,18-21H2,1H3,(H,32,37)
InChIKeyXILXRZDSAIJLEF-UHFFFAOYSA-N
XLogP4.58
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide?
The IUPAC name of N-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide (CID 14374305) is N-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide.
What is the SMILES notation for N-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide?
The canonical SMILES for N-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide is CN(CCCC1CCCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1)C(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide?
The InChIKey is XILXRZDSAIJLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O3/c1-33(30(38)23-12-3-2-4-13-23)18-8-10-22-11-9-19-34(20-22)21-27(36)35-26-16-6-5-14-24(26)29(37)32-25-15-7-17-31-28(25)35/h2-7,12-17,22H,8-11,18-21H2,1H3,(H,32,37).
What are the key properties of N-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide?
N-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide has a molecular weight of 511.63 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide is sourced from PubChem (CID 14374305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).