4-(2-methoxyethyl)-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide

C18H21N5O3 — CID 50840686

IUPAC4-(2-methoxyethyl)-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide
SMILESCOCCN1C(=O)C(C)N(C(=O)NCc2ccncc2)c2cccnc21
InChIInChI=1S/C18H21N5O3/c1-13-17(24)22(10-11-26-2)16-15(4-3-7-20-16)23(13)18(25)21-12-14-5-8-19-9-6-14/h3-9,13H,10-12H2,1-2H3,(H,21,25)
InChIKeyINWLRYNHCQIXKX-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.57
Rot. Bonds5

About 4-(2-methoxyethyl)-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide

4-(2-methoxyethyl)-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide (PubChem CID 50840686) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethyl)-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide
PubChem CID50840686
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name4-(2-methoxyethyl)-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide
SMILESCOCCN1C(=O)C(C)N(C(=O)NCc2ccncc2)c2cccnc21
InChIInChI=1S/C18H21N5O3/c1-13-17(24)22(10-11-26-2)16-15(4-3-7-20-16)23(13)18(25)21-12-14-5-8-19-9-6-14/h3-9,13H,10-12H2,1-2H3,(H,21,25)
InChIKeyINWLRYNHCQIXKX-UHFFFAOYSA-N
XLogP1.57
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyethyl)-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide (CID 50840686) is 4-(2-methoxyethyl)-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyethyl)-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyethyl)-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide is COCCN1C(=O)C(C)N(C(=O)NCc2ccncc2)c2cccnc21.
What is the InChIKey of 4-(2-methoxyethyl)-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide?
The InChIKey is INWLRYNHCQIXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-13-17(24)22(10-11-26-2)16-15(4-3-7-20-16)23(13)18(25)21-12-14-5-8-19-9-6-14/h3-9,13H,10-12H2,1-2H3,(H,21,25).
What are the key properties of 4-(2-methoxyethyl)-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide?
4-(2-methoxyethyl)-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide is sourced from PubChem (CID 50840686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).