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

C25H22FN5O3 — CID 146380240

IUPAC3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(-c2ccc(=O)n(C)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C25H22FN5O3/c1-31-14-17(9-12-20(31)32)22-21(15-7-10-18(26)11-8-15)30-24(27)23(29-22)25(33)28-13-16-5-3-4-6-19(16)34-2/h3-12,14H,13H2,1-2H3,(H2,27,30)(H,28,33)
InChIKeyHVCKZFCNCJDADL-UHFFFAOYSA-N
MW459.48 g/mol
LogP3.17
Rot. Bonds6

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

3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide (PubChem CID 146380240) has the molecular formula C25H22FN5O3 and a molecular weight of 459.48 g/mol. Its IUPAC name is 3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
PubChem CID146380240
Molecular FormulaC25H22FN5O3
Molecular Weight459.48 g/mol
Exact Mass459.17
IUPAC Name3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(-c2ccc(=O)n(C)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C25H22FN5O3/c1-31-14-17(9-12-20(31)32)22-21(15-7-10-18(26)11-8-15)30-24(27)23(29-22)25(33)28-13-16-5-3-4-6-19(16)34-2/h3-12,14H,13H2,1-2H3,(H2,27,30)(H,28,33)
InChIKeyHVCKZFCNCJDADL-UHFFFAOYSA-N
XLogP3.17
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 53.17
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-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide (CID 146380240) is 3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide is COc1ccccc1CNC(=O)c1nc(-c2ccc(=O)n(C)c2)c(-c2ccc(F)cc2)nc1N.
What is the InChIKey of 3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is HVCKZFCNCJDADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O3/c1-31-14-17(9-12-20(31)32)22-21(15-7-10-18(26)11-8-15)30-24(27)23(29-22)25(33)28-13-16-5-3-4-6-19(16)34-2/h3-12,14H,13H2,1-2H3,(H2,27,30)(H,28,33).
What are the key properties of 3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide?
3-amino-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 459.48 g/mol, XLogP of 3.17, 6 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-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 146380240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).