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

C27H26FN5O3 — CID 155209241

IUPAC3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(-c2ccc(=O)n(C(C)C)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C27H26FN5O3/c1-16(2)33-15-19(10-13-22(33)34)24-23(17-8-11-20(28)12-9-17)32-26(29)25(31-24)27(35)30-14-18-6-4-5-7-21(18)36-3/h4-13,15-16H,14H2,1-3H3,(H2,29,32)(H,30,35)
InChIKeyUYFTZUADSDUILC-UHFFFAOYSA-N
MW487.54 g/mol
LogP4.21
Rot. Bonds7

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

3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxamide (PubChem CID 155209241) has the molecular formula C27H26FN5O3 and a molecular weight of 487.54 g/mol. Its IUPAC name is 3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxamide
PubChem CID155209241
Molecular FormulaC27H26FN5O3
Molecular Weight487.54 g/mol
Exact Mass487.20
IUPAC Name3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(-c2ccc(=O)n(C(C)C)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C27H26FN5O3/c1-16(2)33-15-19(10-13-22(33)34)24-23(17-8-11-20(28)12-9-17)32-26(29)25(31-24)27(35)30-14-18-6-4-5-7-21(18)36-3/h4-13,15-16H,14H2,1-3H3,(H2,29,32)(H,30,35)
InChIKeyUYFTZUADSDUILC-UHFFFAOYSA-N
XLogP4.21
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxamide (CID 155209241) is 3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxamide is COc1ccccc1CNC(=O)c1nc(-c2ccc(=O)n(C(C)C)c2)c(-c2ccc(F)cc2)nc1N.
What is the InChIKey of 3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is UYFTZUADSDUILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O3/c1-16(2)33-15-19(10-13-22(33)34)24-23(17-8-11-20(28)12-9-17)32-26(29)25(31-24)27(35)30-14-18-6-4-5-7-21(18)36-3/h4-13,15-16H,14H2,1-3H3,(H2,29,32)(H,30,35).
What are the key properties of 3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxamide?
3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 155209241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).