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

C26H24FN5O2 — CID 155209291

IUPAC3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C26H24FN5O2/c1-15-12-19(13-16(2)30-15)23-22(17-8-10-20(27)11-9-17)32-25(28)24(31-23)26(33)29-14-18-6-4-5-7-21(18)34-3/h4-13H,14H2,1-3H3,(H2,28,32)(H,29,33)
InChIKeyLTERGMQXYSNJNP-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.48
Rot. Bonds6

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

3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 155209291) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID155209291
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C26H24FN5O2/c1-15-12-19(13-16(2)30-15)23-22(17-8-10-20(27)11-9-17)32-25(28)24(31-23)26(33)29-14-18-6-4-5-7-21(18)34-3/h4-13H,14H2,1-3H3,(H2,28,32)(H,29,33)
InChIKeyLTERGMQXYSNJNP-UHFFFAOYSA-N
XLogP4.48
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide (CID 155209291) is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide is COc1ccccc1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccc(F)cc2)nc1N.
What is the InChIKey of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is LTERGMQXYSNJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c1-15-12-19(13-16(2)30-15)23-22(17-8-10-20(27)11-9-17)32-25(28)24(31-23)26(33)29-14-18-6-4-5-7-21(18)34-3/h4-13H,14H2,1-3H3,(H2,28,32)(H,29,33).
What are the key properties of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 155209291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).