3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide

C18H17N5O3 — CID 136544089

IUPAC3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCOc1cc(OC)cc(-c2cccc(NC(=O)c3nccnc3N)n2)c1
InChIInChI=1S/C18H17N5O3/c1-25-12-8-11(9-13(10-12)26-2)14-4-3-5-15(22-14)23-18(24)16-17(19)21-7-6-20-16/h3-10H,1-2H3,(H2,19,21)(H,22,23,24)
InChIKeyTVIXGUFWYQBDEX-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.39
Rot. Bonds5

About 3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide

3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 136544089) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID136544089
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCOc1cc(OC)cc(-c2cccc(NC(=O)c3nccnc3N)n2)c1
InChIInChI=1S/C18H17N5O3/c1-25-12-8-11(9-13(10-12)26-2)14-4-3-5-15(22-14)23-18(24)16-17(19)21-7-6-20-16/h3-10H,1-2H3,(H2,19,21)(H,22,23,24)
InChIKeyTVIXGUFWYQBDEX-UHFFFAOYSA-N
XLogP2.39
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 46673484
N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide
CID 139004800
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360
3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212469
3-amino-N-(2-hydroxyethyl)-6-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 121004737
3,5-dimethoxy-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
CID 46090564
2-amino-3,5-dimethoxy-N-(6-methyl-2-pyridinyl)benzamide
CID 115950448
3-amino-6-chloro-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 11219258
3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 75369727
3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 136525918
3-amino-N-(2,5-dimethoxyphenyl)-6-pyridin-3-ylpyrazine-2-carboxamide;molecular hydrogen
CID 159900740
methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate
CID 122136744

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide (CID 136544089) is 3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide is COc1cc(OC)cc(-c2cccc(NC(=O)c3nccnc3N)n2)c1.
What is the InChIKey of 3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is TVIXGUFWYQBDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-25-12-8-11(9-13(10-12)26-2)14-4-3-5-15(22-14)23-18(24)16-17(19)21-7-6-20-16/h3-10H,1-2H3,(H2,19,21)(H,22,23,24).
What are the key properties of 3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 136544089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).