N-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide

C18H20N2O2 — CID 72925890

IUPACN-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide
SMILESCNC(=O)c1cccc(CC2CCOc3ccccc3C2)n1
InChIInChI=1S/C18H20N2O2/c1-19-18(21)16-7-4-6-15(20-16)12-13-9-10-22-17-8-3-2-5-14(17)11-13/h2-8,13H,9-12H2,1H3,(H,19,21)
InChIKeyNLFXUZOZJXWOLX-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.63
Rot. Bonds3

About N-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide

N-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 72925890) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID72925890
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide
SMILESCNC(=O)c1cccc(CC2CCOc3ccccc3C2)n1
InChIInChI=1S/C18H20N2O2/c1-19-18(21)16-7-4-6-15(20-16)12-13-9-10-22-17-8-3-2-5-14(17)11-13/h2-8,13H,9-12H2,1H3,(H,19,21)
InChIKeyNLFXUZOZJXWOLX-UHFFFAOYSA-N
XLogP2.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide
CID 97272217
N-methyl-4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methylsulfamoyl]thiophene-2-carboxamide
CID 97204550
1-methyl-6-oxo-N-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]pyridazine-3-carboxamide
CID 125169038
7-methyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 74236452
N-methyl-6-[[(6R)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 125023242
N-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 125023241
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]acetamide
CID 125163939
2-(3-methyl-1,2-oxazol-5-yl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)acetamide
CID 72901594
1-[4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]piperazin-1-yl]ethanone
CID 97281274
1-(difluoromethyl)-N-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]pyrazole-3-carboxamide
CID 97207350
N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide
CID 74242329
5,7-dimethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 118780035

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide (CID 72925890) is N-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide is CNC(=O)c1cccc(CC2CCOc3ccccc3C2)n1.
What is the InChIKey of N-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is NLFXUZOZJXWOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-19-18(21)16-7-4-6-15(20-16)12-13-9-10-22-17-8-3-2-5-14(17)11-13/h2-8,13H,9-12H2,1H3,(H,19,21).
What are the key properties of N-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide?
N-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 72925890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).