2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone

C21H23N7O — CID 147607647

IUPAC2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone
SMILESNc1ncc(-c2cccnc2)nc1C(=O)Cc1cnccc1N1CCCC(N)C1
InChIInChI=1S/C21H23N7O/c22-16-4-2-8-28(13-16)18-5-7-25-11-15(18)9-19(29)20-21(23)26-12-17(27-20)14-3-1-6-24-10-14/h1,3,5-7,10-12,16H,2,4,8-9,13,22H2,(H2,23,26)
InChIKeyGBJKJRBJDGXBKZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.87
Rot. Bonds5

About 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone

2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone (PubChem CID 147607647) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone
PubChem CID147607647
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone
SMILESNc1ncc(-c2cccnc2)nc1C(=O)Cc1cnccc1N1CCCC(N)C1
InChIInChI=1S/C21H23N7O/c22-16-4-2-8-28(13-16)18-5-7-25-11-15(18)9-19(29)20-21(23)26-12-17(27-20)14-3-1-6-24-10-14/h1,3,5-7,10-12,16H,2,4,8-9,13,22H2,(H2,23,26)
InChIKeyGBJKJRBJDGXBKZ-UHFFFAOYSA-N
XLogP1.87
TPSA123.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[3-amino-6-(2-aminopyrimidin-4-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 158451136
1-[3-amino-6-(2-chlorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 149024931
1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 147319320
1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167691905
1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone
CID 146797458
6-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]pyridine-3-carboxamide
CID 157102130
2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone
CID 158447913
1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167618356
1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone
CID 167699791
1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167680699
benzyl N-[2-[4-[5-amino-6-[2-[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]acetyl]pyrazin-2-yl]phenyl]ethyl]carbamate
CID 167592141
1-[3-amino-6-(3-butoxy-2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 157344941

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone?
The IUPAC name of 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone (CID 147607647) is 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone.
What is the SMILES notation for 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone?
The canonical SMILES for 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone is Nc1ncc(-c2cccnc2)nc1C(=O)Cc1cnccc1N1CCCC(N)C1.
What is the InChIKey of 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone?
The InChIKey is GBJKJRBJDGXBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c22-16-4-2-8-28(13-16)18-5-7-25-11-15(18)9-19(29)20-21(23)26-12-17(27-20)14-3-1-6-24-10-14/h1,3,5-7,10-12,16H,2,4,8-9,13,22H2,(H2,23,26).
What are the key properties of 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone?
2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone has a molecular weight of 389.46 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone is sourced from PubChem (CID 147607647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).