1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(3-hydroxypropylamino)-3-pyridinyl]ethanone

C23H27N5O2 — CID 167691380

IUPAC1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(3-hydroxypropylamino)-3-pyridinyl]ethanone
SMILESCCCc1ccc(-c2cnc(N)c(C(=O)Cc3cnccc3NCCCO)n2)cc1
InChIInChI=1S/C23H27N5O2/c1-2-4-16-5-7-17(8-6-16)20-15-27-23(24)22(28-20)21(30)13-18-14-25-11-9-19(18)26-10-3-12-29/h5-9,11,14-15,29H,2-4,10,12-13H2,1H3,(H2,24,27)(H,25,26)
InChIKeyWZQZAVVVQUZADV-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.29
Rot. Bonds10

About 1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(3-hydroxypropylamino)-3-pyridinyl]ethanone

1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(3-hydroxypropylamino)-3-pyridinyl]ethanone (PubChem CID 167691380) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(3-hydroxypropylamino)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(3-hydroxypropylamino)-3-pyridinyl]ethanone
PubChem CID167691380
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(3-hydroxypropylamino)-3-pyridinyl]ethanone
SMILESCCCc1ccc(-c2cnc(N)c(C(=O)Cc3cnccc3NCCCO)n2)cc1
InChIInChI=1S/C23H27N5O2/c1-2-4-16-5-7-17(8-6-16)20-15-27-23(24)22(28-20)21(30)13-18-14-25-11-9-19(18)26-10-3-12-29/h5-9,11,14-15,29H,2-4,10,12-13H2,1H3,(H2,24,27)(H,25,26)
InChIKeyWZQZAVVVQUZADV-UHFFFAOYSA-N
XLogP3.29
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(triazol-1-yl)-3-pyridinyl]ethanone
CID 167645795
1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone
CID 167583660
1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167672209
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-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone
CID 167547959
benzyl N-[2-[4-[5-amino-6-[2-[4-(3-methylazetidin-1-yl)-3-pyridinyl]acetyl]pyrazin-2-yl]phenyl]ethyl]carbamate
CID 167639210
3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide
CID 167705710
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-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167680699
3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide
CID 155689401
methyl 3-amino-6-[4-(hydroxymethyl)phenyl]pyrazine-2-carboxylate
CID 156816726
N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylpropanamide
CID 159413369

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(3-hydroxypropylamino)-3-pyridinyl]ethanone?
The IUPAC name of 1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(3-hydroxypropylamino)-3-pyridinyl]ethanone (CID 167691380) is 1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(3-hydroxypropylamino)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(3-hydroxypropylamino)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(3-hydroxypropylamino)-3-pyridinyl]ethanone is CCCc1ccc(-c2cnc(N)c(C(=O)Cc3cnccc3NCCCO)n2)cc1.
What is the InChIKey of 1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(3-hydroxypropylamino)-3-pyridinyl]ethanone?
The InChIKey is WZQZAVVVQUZADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-2-4-16-5-7-17(8-6-16)20-15-27-23(24)22(28-20)21(30)13-18-14-25-11-9-19(18)26-10-3-12-29/h5-9,11,14-15,29H,2-4,10,12-13H2,1H3,(H2,24,27)(H,25,26).
What are the key properties of 1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(3-hydroxypropylamino)-3-pyridinyl]ethanone?
1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(3-hydroxypropylamino)-3-pyridinyl]ethanone has a molecular weight of 405.50 g/mol, XLogP of 3.29, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(3-hydroxypropylamino)-3-pyridinyl]ethanone is sourced from PubChem (CID 167691380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).