N-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide

C25H27N3O2 — CID 70665234

IUPACN-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
SMILESCNC(=O)c1ccc(OCc2cc(C)ccn2)c(-c2ccc3c(c2)CCNCC3)c1
InChIInChI=1S/C25H27N3O2/c1-17-7-12-28-22(13-17)16-30-24-6-5-21(25(29)26-2)15-23(24)20-4-3-18-8-10-27-11-9-19(18)14-20/h3-7,12-15,27H,8-11,16H2,1-2H3,(H,26,29)
InChIKeyOMAUHGLJRXOMLX-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.68
Rot. Bonds5

About N-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide

N-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide (PubChem CID 70665234) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide.

Molecular Properties

Compound NameN-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
PubChem CID70665234
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
SMILESCNC(=O)c1ccc(OCc2cc(C)ccn2)c(-c2ccc3c(c2)CCNCC3)c1
InChIInChI=1S/C25H27N3O2/c1-17-7-12-28-22(13-17)16-30-24-6-5-21(25(29)26-2)15-23(24)20-4-3-18-8-10-27-11-9-19(18)14-20/h3-7,12-15,27H,8-11,16H2,1-2H3,(H,26,29)
InChIKeyOMAUHGLJRXOMLX-UHFFFAOYSA-N
XLogP3.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide?
The IUPAC name of N-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide (CID 70665234) is N-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide.
What is the SMILES notation for N-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide?
The canonical SMILES for N-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide is CNC(=O)c1ccc(OCc2cc(C)ccn2)c(-c2ccc3c(c2)CCNCC3)c1.
What is the InChIKey of N-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide?
The InChIKey is OMAUHGLJRXOMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-17-7-12-28-22(13-17)16-30-24-6-5-21(25(29)26-2)15-23(24)20-4-3-18-8-10-27-11-9-19(18)14-20/h3-7,12-15,27H,8-11,16H2,1-2H3,(H,26,29).
What are the key properties of N-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide?
N-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide has a molecular weight of 401.51 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide is sourced from PubChem (CID 70665234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).