N-benzyl-1-(6,11-dihydrobenzo[c][1]benzoxepin-11-ylmethyl)-3-hydroxy-N-methyl-4-oxopyridine-2-carboxamide

C29H26N2O4 — CID 146641365

IUPACN-benzyl-1-(6,11-dihydrobenzo[c][1]benzoxepin-11-ylmethyl)-3-hydroxy-N-methyl-4-oxopyridine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1c(O)c(=O)ccn1CC1c2ccccc2COc2ccccc21
InChIInChI=1S/C29H26N2O4/c1-30(17-20-9-3-2-4-10-20)29(34)27-28(33)25(32)15-16-31(27)18-24-22-12-6-5-11-21(22)19-35-26-14-8-7-13-23(24)26/h2-16,24,33H,17-19H2,1H3
InChIKeyFOXUXNQKESXKDX-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.55
Rot. Bonds5

About N-benzyl-1-(6,11-dihydrobenzo[c][1]benzoxepin-11-ylmethyl)-3-hydroxy-N-methyl-4-oxopyridine-2-carboxamide

N-benzyl-1-(6,11-dihydrobenzo[c][1]benzoxepin-11-ylmethyl)-3-hydroxy-N-methyl-4-oxopyridine-2-carboxamide (PubChem CID 146641365) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-benzyl-1-(6,11-dihydrobenzo[c][1]benzoxepin-11-ylmethyl)-3-hydroxy-N-methyl-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(6,11-dihydrobenzo[c][1]benzoxepin-11-ylmethyl)-3-hydroxy-N-methyl-4-oxopyridine-2-carboxamide
PubChem CID146641365
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC NameN-benzyl-1-(6,11-dihydrobenzo[c][1]benzoxepin-11-ylmethyl)-3-hydroxy-N-methyl-4-oxopyridine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1c(O)c(=O)ccn1CC1c2ccccc2COc2ccccc21
InChIInChI=1S/C29H26N2O4/c1-30(17-20-9-3-2-4-10-20)29(34)27-28(33)25(32)15-16-31(27)18-24-22-12-6-5-11-21(22)19-35-26-14-8-7-13-23(24)26/h2-16,24,33H,17-19H2,1H3
InChIKeyFOXUXNQKESXKDX-UHFFFAOYSA-N
XLogP4.55
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(6,11-dihydrobenzo[c][1]benzoxepin-11-ylmethyl)-3-hydroxy-N-methyl-4-oxopyridine-2-carboxamide?
The IUPAC name of N-benzyl-1-(6,11-dihydrobenzo[c][1]benzoxepin-11-ylmethyl)-3-hydroxy-N-methyl-4-oxopyridine-2-carboxamide (CID 146641365) is N-benzyl-1-(6,11-dihydrobenzo[c][1]benzoxepin-11-ylmethyl)-3-hydroxy-N-methyl-4-oxopyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-(6,11-dihydrobenzo[c][1]benzoxepin-11-ylmethyl)-3-hydroxy-N-methyl-4-oxopyridine-2-carboxamide?
The canonical SMILES for N-benzyl-1-(6,11-dihydrobenzo[c][1]benzoxepin-11-ylmethyl)-3-hydroxy-N-methyl-4-oxopyridine-2-carboxamide is CN(Cc1ccccc1)C(=O)c1c(O)c(=O)ccn1CC1c2ccccc2COc2ccccc21.
What is the InChIKey of N-benzyl-1-(6,11-dihydrobenzo[c][1]benzoxepin-11-ylmethyl)-3-hydroxy-N-methyl-4-oxopyridine-2-carboxamide?
The InChIKey is FOXUXNQKESXKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4/c1-30(17-20-9-3-2-4-10-20)29(34)27-28(33)25(32)15-16-31(27)18-24-22-12-6-5-11-21(22)19-35-26-14-8-7-13-23(24)26/h2-16,24,33H,17-19H2,1H3.
What are the key properties of N-benzyl-1-(6,11-dihydrobenzo[c][1]benzoxepin-11-ylmethyl)-3-hydroxy-N-methyl-4-oxopyridine-2-carboxamide?
N-benzyl-1-(6,11-dihydrobenzo[c][1]benzoxepin-11-ylmethyl)-3-hydroxy-N-methyl-4-oxopyridine-2-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(6,11-dihydrobenzo[c][1]benzoxepin-11-ylmethyl)-3-hydroxy-N-methyl-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 146641365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).