8-ethyl-6-phenyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

C20H17N5O — CID 5328649

IUPAC8-ethyl-6-phenyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccncc3)nc21
InChIInChI=1S/C20H17N5O/c1-2-25-18-15(12-17(19(25)26)14-6-4-3-5-7-14)13-22-20(24-18)23-16-8-10-21-11-9-16/h3-13H,2H2,1H3,(H,21,22,23,24)
InChIKeyJMCKXGDSYVEIDE-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.62
Rot. Bonds4

About 8-ethyl-6-phenyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

8-ethyl-6-phenyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5328649) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 8-ethyl-6-phenyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-6-phenyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5328649
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name8-ethyl-6-phenyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccncc3)nc21
InChIInChI=1S/C20H17N5O/c1-2-25-18-15(12-17(19(25)26)14-6-4-3-5-7-14)13-22-20(24-18)23-16-8-10-21-11-9-16/h3-13H,2H2,1H3,(H,21,22,23,24)
InChIKeyJMCKXGDSYVEIDE-UHFFFAOYSA-N
XLogP3.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-phenyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-6-phenyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 5328649) is 8-ethyl-6-phenyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-6-phenyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-6-phenyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccncc3)nc21.
What is the InChIKey of 8-ethyl-6-phenyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JMCKXGDSYVEIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-2-25-18-15(12-17(19(25)26)14-6-4-3-5-7-14)13-22-20(24-18)23-16-8-10-21-11-9-16/h3-13H,2H2,1H3,(H,21,22,23,24).
What are the key properties of 8-ethyl-6-phenyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-6-phenyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 343.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-phenyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5328649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).