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

C26H24FN5O3 — CID 146386429

IUPAC3-amino-6-(1-ethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCCn1cc(-c2nc(C(=O)NCc3ccccc3OC)c(N)nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C26H24FN5O3/c1-3-32-15-18(10-13-21(32)33)23-22(16-8-11-19(27)12-9-16)31-25(28)24(30-23)26(34)29-14-17-6-4-5-7-20(17)35-2/h4-13,15H,3,14H2,1-2H3,(H2,28,31)(H,29,34)
InChIKeyRCVUUQWXZAMGJR-UHFFFAOYSA-N
MW473.51 g/mol
LogP3.65
Rot. Bonds7

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

3-amino-6-(1-ethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 146386429) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is 3-amino-6-(1-ethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(1-ethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID146386429
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name3-amino-6-(1-ethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCCn1cc(-c2nc(C(=O)NCc3ccccc3OC)c(N)nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C26H24FN5O3/c1-3-32-15-18(10-13-21(32)33)23-22(16-8-11-19(27)12-9-16)31-25(28)24(30-23)26(34)29-14-17-6-4-5-7-20(17)35-2/h4-13,15H,3,14H2,1-2H3,(H2,28,31)(H,29,34)
InChIKeyRCVUUQWXZAMGJR-UHFFFAOYSA-N
XLogP3.65
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.65
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-ethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(1-ethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide (CID 146386429) is 3-amino-6-(1-ethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(1-ethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(1-ethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide is CCn1cc(-c2nc(C(=O)NCc3ccccc3OC)c(N)nc2-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 3-amino-6-(1-ethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is RCVUUQWXZAMGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-3-32-15-18(10-13-21(32)33)23-22(16-8-11-19(27)12-9-16)31-25(28)24(30-23)26(34)29-14-17-6-4-5-7-20(17)35-2/h4-13,15H,3,14H2,1-2H3,(H2,28,31)(H,29,34).
What are the key properties of 3-amino-6-(1-ethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
3-amino-6-(1-ethyl-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 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1-ethyl-6-oxo-3-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 146386429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).