3-amino-N-butan-2-yl-6-(3-methoxyphenyl)pyrazine-2-carboxamide

C16H20N4O2 — CID 122185567

IUPAC3-amino-N-butan-2-yl-6-(3-methoxyphenyl)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1nc(-c2cccc(OC)c2)cnc1N
InChIInChI=1S/C16H20N4O2/c1-4-10(2)19-16(21)14-15(17)18-9-13(20-14)11-6-5-7-12(8-11)22-3/h5-10H,4H2,1-3H3,(H2,17,18)(H,19,21)
InChIKeyVJBRGURKKFISQZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.26
Rot. Bonds5

About 3-amino-N-butan-2-yl-6-(3-methoxyphenyl)pyrazine-2-carboxamide

3-amino-N-butan-2-yl-6-(3-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 122185567) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-6-(3-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-6-(3-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID122185567
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-amino-N-butan-2-yl-6-(3-methoxyphenyl)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1nc(-c2cccc(OC)c2)cnc1N
InChIInChI=1S/C16H20N4O2/c1-4-10(2)19-16(21)14-15(17)18-9-13(20-14)11-6-5-7-12(8-11)22-3/h5-10H,4H2,1-3H3,(H2,17,18)(H,19,21)
InChIKeyVJBRGURKKFISQZ-UHFFFAOYSA-N
XLogP2.26
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide
CID 10216436
N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 470910
7-(4-Methoxyphenyl)-2,4-pteridinediol
CID 5409710
N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 16552535
6-(4-methoxyphenyl)-4(3H)-pteridinone
CID 135473443
3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10139085
1-Ethyl-3-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea
CID 11200965
1-[2-(Dimethylamino)ethyl]-3-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea
CID 11397111
N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide
CID 45271830
N-[(3-methoxyphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 53248893
N-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 135982291
US10689357, Example 22
CID 146249093

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-6-(3-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-butan-2-yl-6-(3-methoxyphenyl)pyrazine-2-carboxamide (CID 122185567) is 3-amino-N-butan-2-yl-6-(3-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-6-(3-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-butan-2-yl-6-(3-methoxyphenyl)pyrazine-2-carboxamide is CCC(C)NC(=O)c1nc(-c2cccc(OC)c2)cnc1N.
What is the InChIKey of 3-amino-N-butan-2-yl-6-(3-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is VJBRGURKKFISQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-10(2)19-16(21)14-15(17)18-9-13(20-14)11-6-5-7-12(8-11)22-3/h5-10H,4H2,1-3H3,(H2,17,18)(H,19,21).
What are the key properties of 3-amino-N-butan-2-yl-6-(3-methoxyphenyl)pyrazine-2-carboxamide?
3-amino-N-butan-2-yl-6-(3-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-6-(3-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 122185567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).