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

C23H23N5O — CID 149017048

IUPACN-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
SMILESC[C@@H](NC(=O)Cc1cc2c(cn1)C(NCc1cccnc1)=NC2)c1ccccc1
InChIInChI=1S/C23H23N5O/c1-16(18-7-3-2-4-8-18)28-22(29)11-20-10-19-14-27-23(21(19)15-25-20)26-13-17-6-5-9-24-12-17/h2-10,12,15-16H,11,13-14H2,1H3,(H,26,27)(H,28,29)/t16-/m1/s1
InChIKeyQCSXYKDVWUMUGY-MRXNPFEDSA-N
MW385.47 g/mol
LogP2.95
Rot. Bonds6

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

N-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide (PubChem CID 149017048) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
PubChem CID149017048
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
SMILESC[C@@H](NC(=O)Cc1cc2c(cn1)C(NCc1cccnc1)=NC2)c1ccccc1
InChIInChI=1S/C23H23N5O/c1-16(18-7-3-2-4-8-18)28-22(29)11-20-10-19-14-27-23(21(19)15-25-20)26-13-17-6-5-9-24-12-17/h2-10,12,15-16H,11,13-14H2,1H3,(H,26,27)(H,28,29)/t16-/m1/s1
InChIKeyQCSXYKDVWUMUGY-MRXNPFEDSA-N
XLogP2.95
TPSA79.27 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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 158888196
2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 146878312
2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
CID 160908806
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
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CID 157201911
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-amino-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
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CID 147064037
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide (CID 149017048) is N-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide is C[C@@H](NC(=O)Cc1cc2c(cn1)C(NCc1cccnc1)=NC2)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The InChIKey is QCSXYKDVWUMUGY-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16(18-7-3-2-4-8-18)28-22(29)11-20-10-19-14-27-23(21(19)15-25-20)26-13-17-6-5-9-24-12-17/h2-10,12,15-16H,11,13-14H2,1H3,(H,26,27)(H,28,29)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
N-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 149017048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).