1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone

C18H23N5O — CID 146797458

IUPAC1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone
SMILESCc1cnc(N)c(C(=O)Cc2ccccc2N2CCCC(N)C2)n1
InChIInChI=1S/C18H23N5O/c1-12-10-21-18(20)17(22-12)16(24)9-13-5-2-3-7-15(13)23-8-4-6-14(19)11-23/h2-3,5,7,10,14H,4,6,8-9,11,19H2,1H3,(H2,20,21)
InChIKeyRXDLASGACQBKAZ-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.72
Rot. Bonds4

About 1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone

1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone (PubChem CID 146797458) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone
PubChem CID146797458
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone
SMILESCc1cnc(N)c(C(=O)Cc2ccccc2N2CCCC(N)C2)n1
InChIInChI=1S/C18H23N5O/c1-12-10-21-18(20)17(22-12)16(24)9-13-5-2-3-7-15(13)23-8-4-6-14(19)11-23/h2-3,5,7,10,14H,4,6,8-9,11,19H2,1H3,(H2,20,21)
InChIKeyRXDLASGACQBKAZ-UHFFFAOYSA-N
XLogP1.72
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone
CID 147607647
1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone
CID 162256564
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-methoxypyrimidin-5-yl)pyrazin-2-yl]-2-(2-piperidin-1-ylphenyl)ethanone
CID 147933467
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-(2-aminopyrimidin-4-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 158451136
6-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]pyridine-3-carboxamide
CID 157102130
1-(2-methyl-3-pyridinyl)piperidin-3-amine
CID 79043598
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-butoxy-2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 157344941
2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 147999209
2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde
CID 89110178

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone (CID 146797458) is 1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone is Cc1cnc(N)c(C(=O)Cc2ccccc2N2CCCC(N)C2)n1.
What is the InChIKey of 1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone?
The InChIKey is RXDLASGACQBKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12-10-21-18(20)17(22-12)16(24)9-13-5-2-3-7-15(13)23-8-4-6-14(19)11-23/h2-3,5,7,10,14H,4,6,8-9,11,19H2,1H3,(H2,20,21).
What are the key properties of 1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone?
1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone has a molecular weight of 325.42 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 146797458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).