2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide

C25H25N5O3 — CID 53001231

IUPAC2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1c(=O)c(=O)n(Cc2ccncc2)c2ncccc21
InChIInChI=1S/C25H25N5O3/c1-18(9-10-19-6-3-2-4-7-19)28-22(31)17-29-21-8-5-13-27-23(21)30(25(33)24(29)32)16-20-11-14-26-15-12-20/h2-8,11-15,18H,9-10,16-17H2,1H3,(H,28,31)
InChIKeyVRMSPHMOVLATIN-UHFFFAOYSA-N
MW443.51 g/mol
LogP2.14
Rot. Bonds8

About 2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide

2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 53001231) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
PubChem CID53001231
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1c(=O)c(=O)n(Cc2ccncc2)c2ncccc21
InChIInChI=1S/C25H25N5O3/c1-18(9-10-19-6-3-2-4-7-19)28-22(31)17-29-21-8-5-13-27-23(21)30(25(33)24(29)32)16-20-11-14-26-15-12-20/h2-8,11-15,18H,9-10,16-17H2,1H3,(H,28,31)
InChIKeyVRMSPHMOVLATIN-UHFFFAOYSA-N
XLogP2.14
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide (CID 53001231) is 2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)Cn1c(=O)c(=O)n(Cc2ccncc2)c2ncccc21.
What is the InChIKey of 2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is VRMSPHMOVLATIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-18(9-10-19-6-3-2-4-7-19)28-22(31)17-29-21-8-5-13-27-23(21)30(25(33)24(29)32)16-20-11-14-26-15-12-20/h2-8,11-15,18H,9-10,16-17H2,1H3,(H,28,31).
What are the key properties of 2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 443.51 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 53001231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).