3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide

C21H24N6O2 — CID 155689401

IUPAC3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide
SMILESCCCNc1ccncc1NC(=O)c1nc(-c2cccc(OCC)c2)cnc1N
InChIInChI=1S/C21H24N6O2/c1-3-9-24-16-8-10-23-12-18(16)27-21(28)19-20(22)25-13-17(26-19)14-6-5-7-15(11-14)29-4-2/h5-8,10-13H,3-4,9H2,1-2H3,(H2,22,25)(H,23,24)(H,27,28)
InChIKeyQZHQYCNGIIHZAS-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.59
Rot. Bonds8

About 3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide

3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide (PubChem CID 155689401) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide
PubChem CID155689401
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide
SMILESCCCNc1ccncc1NC(=O)c1nc(-c2cccc(OCC)c2)cnc1N
InChIInChI=1S/C21H24N6O2/c1-3-9-24-16-8-10-23-12-18(16)27-21(28)19-20(22)25-13-17(26-19)14-6-5-7-15(11-14)29-4-2/h5-8,10-13H,3-4,9H2,1-2H3,(H2,22,25)(H,23,24)(H,27,28)
InChIKeyQZHQYCNGIIHZAS-UHFFFAOYSA-N
XLogP3.59
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360
3-amino-N-(2-hydroxyethyl)-6-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 121004737
benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane
CID 156743329
3-amino-N-(2,5-dimethoxyphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;molecular hydrogen
CID 159900740
3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide
CID 167705710
3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide
CID 46834031
3-amino-N-(1H-indol-6-yl)-6-pyridin-3-ylpyrazine-2-carboxamide
CID 59471623
N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide
CID 10402476
3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide
CID 10331970
3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide
CID 122185569
1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(3-hydroxypropylamino)-3-pyridinyl]ethanone
CID 167691380
3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651617

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide (CID 155689401) is 3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide is CCCNc1ccncc1NC(=O)c1nc(-c2cccc(OCC)c2)cnc1N.
What is the InChIKey of 3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is QZHQYCNGIIHZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-3-9-24-16-8-10-23-12-18(16)27-21(28)19-20(22)25-13-17(26-19)14-6-5-7-15(11-14)29-4-2/h5-8,10-13H,3-4,9H2,1-2H3,(H2,22,25)(H,23,24)(H,27,28).
What are the key properties of 3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide?
3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.59, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 155689401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).