3-amino-N-[1-(2,6-difluorophenyl)-2-hydroxyethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C22H18F2N6O4 — CID 155209384

IUPAC3-amino-N-[1-(2,6-difluorophenyl)-2-hydroxyethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NC(CO)c3c(F)cccc3F)c(N)nc2-c2ncco2)ccc1=O
InChIInChI=1S/C22H18F2N6O4/c1-30-9-11(5-6-15(30)32)17-18(22-26-7-8-34-22)29-20(25)19(28-17)21(33)27-14(10-31)16-12(23)3-2-4-13(16)24/h2-9,14,31H,10H2,1H3,(H2,25,29)(H,27,33)
InChIKeyFXEQNKYIBZUFDE-UHFFFAOYSA-N
MW468.42 g/mol
LogP1.82
Rot. Bonds6

About 3-amino-N-[1-(2,6-difluorophenyl)-2-hydroxyethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-[1-(2,6-difluorophenyl)-2-hydroxyethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 155209384) has the molecular formula C22H18F2N6O4 and a molecular weight of 468.42 g/mol. Its IUPAC name is 3-amino-N-[1-(2,6-difluorophenyl)-2-hydroxyethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,6-difluorophenyl)-2-hydroxyethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID155209384
Molecular FormulaC22H18F2N6O4
Molecular Weight468.42 g/mol
Exact Mass468.14
IUPAC Name3-amino-N-[1-(2,6-difluorophenyl)-2-hydroxyethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NC(CO)c3c(F)cccc3F)c(N)nc2-c2ncco2)ccc1=O
InChIInChI=1S/C22H18F2N6O4/c1-30-9-11(5-6-15(30)32)17-18(22-26-7-8-34-22)29-20(25)19(28-17)21(33)27-14(10-31)16-12(23)3-2-4-13(16)24/h2-9,14,31H,10H2,1H3,(H2,25,29)(H,27,33)
InChIKeyFXEQNKYIBZUFDE-UHFFFAOYSA-N
XLogP1.82
TPSA149.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.42
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,6-difluorophenyl)-2-hydroxyethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(2,6-difluorophenyl)-2-hydroxyethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 155209384) is 3-amino-N-[1-(2,6-difluorophenyl)-2-hydroxyethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2,6-difluorophenyl)-2-hydroxyethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2,6-difluorophenyl)-2-hydroxyethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cn1cc(-c2nc(C(=O)NC(CO)c3c(F)cccc3F)c(N)nc2-c2ncco2)ccc1=O.
What is the InChIKey of 3-amino-N-[1-(2,6-difluorophenyl)-2-hydroxyethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is FXEQNKYIBZUFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O4/c1-30-9-11(5-6-15(30)32)17-18(22-26-7-8-34-22)29-20(25)19(28-17)21(33)27-14(10-31)16-12(23)3-2-4-13(16)24/h2-9,14,31H,10H2,1H3,(H2,25,29)(H,27,33).
What are the key properties of 3-amino-N-[1-(2,6-difluorophenyl)-2-hydroxyethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[1-(2,6-difluorophenyl)-2-hydroxyethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 468.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,6-difluorophenyl)-2-hydroxyethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155209384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).