3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide

C26H24FN5O3 — CID 146386557

IUPAC3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(-c2cc(C)c(=O)n(C)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C26H24FN5O3/c1-15-12-18(14-32(2)26(15)34)22-21(16-8-10-19(27)11-9-16)31-24(28)23(30-22)25(33)29-13-17-6-4-5-7-20(17)35-3/h4-12,14H,13H2,1-3H3,(H2,28,31)(H,29,33)
InChIKeyAMAUQHZTYZQDHE-UHFFFAOYSA-N
MW473.51 g/mol
LogP3.48
Rot. Bonds6

About 3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide

3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 146386557) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is 3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID146386557
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(-c2cc(C)c(=O)n(C)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C26H24FN5O3/c1-15-12-18(14-32(2)26(15)34)22-21(16-8-10-19(27)11-9-16)31-24(28)23(30-22)25(33)29-13-17-6-4-5-7-20(17)35-3/h4-12,14H,13H2,1-3H3,(H2,28,31)(H,29,33)
InChIKeyAMAUQHZTYZQDHE-UHFFFAOYSA-N
XLogP3.48
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide (CID 146386557) is 3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide is COc1ccccc1CNC(=O)c1nc(-c2cc(C)c(=O)n(C)c2)c(-c2ccc(F)cc2)nc1N.
What is the InChIKey of 3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is AMAUQHZTYZQDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-15-12-18(14-32(2)26(15)34)22-21(16-8-10-19(27)11-9-16)31-24(28)23(30-22)25(33)29-13-17-6-4-5-7-20(17)35-3/h4-12,14H,13H2,1-3H3,(H2,28,31)(H,29,33).
What are the key properties of 3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 473.51 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 146386557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).