N-[6-[4-(5-methyl-6-oxo-11H-benzo[c][1]benzazepin-11-yl)piperazin-1-yl]-3-pyridinyl]oxolane-3-carboxamide

C29H31N5O3 — CID 90316649

IUPACN-[6-[4-(5-methyl-6-oxo-11H-benzo[c][1]benzazepin-11-yl)piperazin-1-yl]-3-pyridinyl]oxolane-3-carboxamide
SMILESCN1C(=O)c2ccccc2C(N2CCN(c3ccc(NC(=O)C4CCOC4)cn3)CC2)c2ccccc21
InChIInChI=1S/C29H31N5O3/c1-32-25-9-5-4-8-24(25)27(22-6-2-3-7-23(22)29(32)36)34-15-13-33(14-16-34)26-11-10-21(18-30-26)31-28(35)20-12-17-37-19-20/h2-11,18,20,27H,12-17,19H2,1H3,(H,31,35)
InChIKeyWAJUXVNSFOUMFQ-UHFFFAOYSA-N
MW497.60 g/mol
LogP3.56
Rot. Bonds4

About N-[6-[4-(5-methyl-6-oxo-11H-benzo[c][1]benzazepin-11-yl)piperazin-1-yl]-3-pyridinyl]oxolane-3-carboxamide

N-[6-[4-(5-methyl-6-oxo-11H-benzo[c][1]benzazepin-11-yl)piperazin-1-yl]-3-pyridinyl]oxolane-3-carboxamide (PubChem CID 90316649) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[6-[4-(5-methyl-6-oxo-11H-benzo[c][1]benzazepin-11-yl)piperazin-1-yl]-3-pyridinyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(5-methyl-6-oxo-11H-benzo[c][1]benzazepin-11-yl)piperazin-1-yl]-3-pyridinyl]oxolane-3-carboxamide
PubChem CID90316649
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC NameN-[6-[4-(5-methyl-6-oxo-11H-benzo[c][1]benzazepin-11-yl)piperazin-1-yl]-3-pyridinyl]oxolane-3-carboxamide
SMILESCN1C(=O)c2ccccc2C(N2CCN(c3ccc(NC(=O)C4CCOC4)cn3)CC2)c2ccccc21
InChIInChI=1S/C29H31N5O3/c1-32-25-9-5-4-8-24(25)27(22-6-2-3-7-23(22)29(32)36)34-15-13-33(14-16-34)26-11-10-21(18-30-26)31-28(35)20-12-17-37-19-20/h2-11,18,20,27H,12-17,19H2,1H3,(H,31,35)
InChIKeyWAJUXVNSFOUMFQ-UHFFFAOYSA-N
XLogP3.56
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[4-(5-methyl-6-oxo-11H-benzo[c][1]benzazepin-11-yl)piperazin-1-yl]-3-pyridinyl]oxolane-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-chloro-4-[4-(6-methyl-5-oxo-11H-pyrido[4,3-c][1]benzazepin-11-yl)piperazin-1-yl]phenyl]oxolane-3-carboxamide
CID 90316217
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
CID 113014312
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
CID 113016001
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 167869501
N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]oxolane-3-carboxamide
CID 53187779
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]oxane-4-carboxamide
CID 113015664
N-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 126784589
2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 51321278
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
(3R)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]oxolane-3-carboxamide
CID 95272394
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 38854413

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(5-methyl-6-oxo-11H-benzo[c][1]benzazepin-11-yl)piperazin-1-yl]-3-pyridinyl]oxolane-3-carboxamide?
The IUPAC name of N-[6-[4-(5-methyl-6-oxo-11H-benzo[c][1]benzazepin-11-yl)piperazin-1-yl]-3-pyridinyl]oxolane-3-carboxamide (CID 90316649) is N-[6-[4-(5-methyl-6-oxo-11H-benzo[c][1]benzazepin-11-yl)piperazin-1-yl]-3-pyridinyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[6-[4-(5-methyl-6-oxo-11H-benzo[c][1]benzazepin-11-yl)piperazin-1-yl]-3-pyridinyl]oxolane-3-carboxamide?
The canonical SMILES for N-[6-[4-(5-methyl-6-oxo-11H-benzo[c][1]benzazepin-11-yl)piperazin-1-yl]-3-pyridinyl]oxolane-3-carboxamide is CN1C(=O)c2ccccc2C(N2CCN(c3ccc(NC(=O)C4CCOC4)cn3)CC2)c2ccccc21.
What is the InChIKey of N-[6-[4-(5-methyl-6-oxo-11H-benzo[c][1]benzazepin-11-yl)piperazin-1-yl]-3-pyridinyl]oxolane-3-carboxamide?
The InChIKey is WAJUXVNSFOUMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-32-25-9-5-4-8-24(25)27(22-6-2-3-7-23(22)29(32)36)34-15-13-33(14-16-34)26-11-10-21(18-30-26)31-28(35)20-12-17-37-19-20/h2-11,18,20,27H,12-17,19H2,1H3,(H,31,35).
What are the key properties of N-[6-[4-(5-methyl-6-oxo-11H-benzo[c][1]benzazepin-11-yl)piperazin-1-yl]-3-pyridinyl]oxolane-3-carboxamide?
N-[6-[4-(5-methyl-6-oxo-11H-benzo[c][1]benzazepin-11-yl)piperazin-1-yl]-3-pyridinyl]oxolane-3-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(5-methyl-6-oxo-11H-benzo[c][1]benzazepin-11-yl)piperazin-1-yl]-3-pyridinyl]oxolane-3-carboxamide is sourced from PubChem (CID 90316649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).