2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide

C21H24N4O — CID 146878312

IUPAC2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1cc2c(cn1)C(N1CC[C@@H]1C)=NC2)c1ccccc1
InChIInChI=1S/C21H24N4O/c1-14-8-9-25(14)21-19-13-22-18(10-17(19)12-23-21)11-20(26)24-15(2)16-6-4-3-5-7-16/h3-7,10,13-15H,8-9,11-12H2,1-2H3,(H,24,26)/t14-,15+/m0/s1
InChIKeySRBAQKVTAVZBGO-LSDHHAIUSA-N
MW348.45 g/mol
LogP2.86
Rot. Bonds4

About 2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide

2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 146878312) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID146878312
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1cc2c(cn1)C(N1CC[C@@H]1C)=NC2)c1ccccc1
InChIInChI=1S/C21H24N4O/c1-14-8-9-25(14)21-19-13-22-18(10-17(19)12-23-21)11-20(26)24-15(2)16-6-4-3-5-7-16/h3-7,10,13-15H,8-9,11-12H2,1-2H3,(H,24,26)/t14-,15+/m0/s1
InChIKeySRBAQKVTAVZBGO-LSDHHAIUSA-N
XLogP2.86
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 159778202
N-[(1R)-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide
CID 158141525
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 158888196
N-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 149017048
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 158777671
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 158777670
2-(5-amino-2-pyridinyl)-N-[(1S)-1-phenylethyl]acetamide
CID 107338863
2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 147064037
(4S)-5-hydroxy-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one
CID 147938915
2-[3-methoxy-4-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 161137251
(4S)-1-[3-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one
CID 159286907
2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 42670331

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide (CID 146878312) is 2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)Cc1cc2c(cn1)C(N1CC[C@@H]1C)=NC2)c1ccccc1.
What is the InChIKey of 2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is SRBAQKVTAVZBGO-LSDHHAIUSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-8-9-25(14)21-19-13-22-18(10-17(19)12-23-21)11-20(26)24-15(2)16-6-4-3-5-7-16/h3-7,10,13-15H,8-9,11-12H2,1-2H3,(H,24,26)/t14-,15+/m0/s1.
What are the key properties of 2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide?
2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 146878312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).