3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide

C25H34N4O2 — CID 51901056

IUPAC3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide
SMILESC[C@@H]1CN(CCC(=O)NC[C@@H](c2cccnc2)N2CCCCC2)Cc2ccccc2O1
InChIInChI=1S/C25H34N4O2/c1-20-18-28(19-22-8-3-4-10-24(22)31-20)15-11-25(30)27-17-23(21-9-7-12-26-16-21)29-13-5-2-6-14-29/h3-4,7-10,12,16,20,23H,2,5-6,11,13-15,17-19H2,1H3,(H,27,30)/t20-,23+/m1/s1
InChIKeyFGSJMNRARDTAIL-OFNKIYASSA-N
MW422.57 g/mol
LogP3.40
Rot. Bonds7

About 3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide

3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide (PubChem CID 51901056) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide.

Molecular Properties

Compound Name3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide
PubChem CID51901056
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide
SMILESC[C@@H]1CN(CCC(=O)NC[C@@H](c2cccnc2)N2CCCCC2)Cc2ccccc2O1
InChIInChI=1S/C25H34N4O2/c1-20-18-28(19-22-8-3-4-10-24(22)31-20)15-11-25(30)27-17-23(21-9-7-12-26-16-21)29-13-5-2-6-14-29/h3-4,7-10,12,16,20,23H,2,5-6,11,13-15,17-19H2,1H3,(H,27,30)/t20-,23+/m1/s1
InChIKeyFGSJMNRARDTAIL-OFNKIYASSA-N
XLogP3.40
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
CID 45233738
2-[(2S)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide
CID 28668134
N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanamide
CID 28634478
N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 30852484
N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanamide
CID 45231812
N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166227053
3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide
CID 97237164
N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166229779
N-[2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 45172311
3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 26349733
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 51908359
2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide
CID 131907416

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide?
The IUPAC name of 3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide (CID 51901056) is 3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide.
What is the SMILES notation for 3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide?
The canonical SMILES for 3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide is C[C@@H]1CN(CCC(=O)NC[C@@H](c2cccnc2)N2CCCCC2)Cc2ccccc2O1.
What is the InChIKey of 3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide?
The InChIKey is FGSJMNRARDTAIL-OFNKIYASSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-20-18-28(19-22-8-3-4-10-24(22)31-20)15-11-25(30)27-17-23(21-9-7-12-26-16-21)29-13-5-2-6-14-29/h3-4,7-10,12,16,20,23H,2,5-6,11,13-15,17-19H2,1H3,(H,27,30)/t20-,23+/m1/s1.
What are the key properties of 3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide?
3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide has a molecular weight of 422.57 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide is sourced from PubChem (CID 51901056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).