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

C23H23N5O — CID 159676795

IUPACN-[(1S)-2-amino-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
SMILESCc1cc(C2=NCc3cc(CC(=O)N[C@H](CN)c4ccccc4)ncc32)ccn1
InChIInChI=1S/C23H23N5O/c1-15-9-17(7-8-25-15)23-20-14-26-19(10-18(20)13-27-23)11-22(29)28-21(12-24)16-5-3-2-4-6-16/h2-10,14,21H,11-13,24H2,1H3,(H,28,29)/t21-/m1/s1
InChIKeyMURUPWYJGHOBRE-OAQYLSRUSA-N
MW385.47 g/mol
LogP2.49
Rot. Bonds6

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

N-[(1S)-2-amino-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide (PubChem CID 159676795) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(1S)-2-amino-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
PubChem CID159676795
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-[(1S)-2-amino-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
SMILESCc1cc(C2=NCc3cc(CC(=O)N[C@H](CN)c4ccccc4)ncc32)ccn1
InChIInChI=1S/C23H23N5O/c1-15-9-17(7-8-25-15)23-20-14-26-19(10-18(20)13-27-23)11-22(29)28-21(12-24)16-5-3-2-4-6-16/h2-10,14,21H,11-13,24H2,1H3,(H,28,29)/t21-/m1/s1
InChIKeyMURUPWYJGHOBRE-OAQYLSRUSA-N
XLogP2.49
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 147064037
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-[1-(4-chlorophenyl)cyclopropyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 159800514
(4S)-1-[3-(2-fluoro-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one
CID 148560025
N-[(1R)-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide
CID 158141525
2-[3-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 159778202
2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 146878312
2-[3-methoxy-4-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 161137251
1-[(3R,4R)-4-cyclohexyl-1-methylpyrrolidin-3-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]propan-2-one
CID 158319274
N-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 149017048

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[(1S)-2-amino-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide (CID 159676795) is N-[(1S)-2-amino-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[(1S)-2-amino-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[(1S)-2-amino-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide is Cc1cc(C2=NCc3cc(CC(=O)N[C@H](CN)c4ccccc4)ncc32)ccn1.
What is the InChIKey of N-[(1S)-2-amino-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The InChIKey is MURUPWYJGHOBRE-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15-9-17(7-8-25-15)23-20-14-26-19(10-18(20)13-27-23)11-22(29)28-21(12-24)16-5-3-2-4-6-16/h2-10,14,21H,11-13,24H2,1H3,(H,28,29)/t21-/m1/s1.
What are the key properties of N-[(1S)-2-amino-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
N-[(1S)-2-amino-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 159676795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).