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

C20H15Cl2N5O — CID 5327890

IUPAC6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccncc3)nc21
InChIInChI=1S/C20H15Cl2N5O/c1-2-27-18-12(11-24-20(26-18)25-13-6-8-23-9-7-13)10-14(19(27)28)17-15(21)4-3-5-16(17)22/h3-11H,2H2,1H3,(H,23,24,25,26)
InChIKeyDAZNPHVDUSTLGK-UHFFFAOYSA-N
MW412.28 g/mol
LogP4.92
Rot. Bonds4

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

6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327890) has the molecular formula C20H15Cl2N5O and a molecular weight of 412.28 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5327890
Molecular FormulaC20H15Cl2N5O
Molecular Weight412.28 g/mol
Exact Mass411.07
IUPAC Name6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccncc3)nc21
InChIInChI=1S/C20H15Cl2N5O/c1-2-27-18-12(11-24-20(26-18)25-13-6-8-23-9-7-13)10-14(19(27)28)17-15(21)4-3-5-16(17)22/h3-11H,2H2,1H3,(H,23,24,25,26)
InChIKeyDAZNPHVDUSTLGK-UHFFFAOYSA-N
XLogP4.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,6-dichlorophenyl)-2-(4-hydroxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;ethane
CID 142923567
2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 11537968
6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 135381980
4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]benzonitrile
CID 58395637
6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71249838
6-(2,6-dichloro-4-cyclopentylphenyl)-8-ethyl-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 157180833
2-[4-[(E)-2-aminoethenoxy]anilino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 90369679
6-(2,6-dichlorophenyl)-2-[3-(ethoxymethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 142857829
6-(2,6-dichlorophenyl)-2-[4-[2-[ethyl(methyl)amino]ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 167312582
6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934557
6-(2,6-dichlorophenyl)-2-[3-(hydroxymethyl)anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 24938205
6-(2,6-dichlorophenyl)-2-[3-(1-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 53348083

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 5327890) is 6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccncc3)nc21.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DAZNPHVDUSTLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O/c1-2-27-18-12(11-24-20(26-18)25-13-6-8-23-9-7-13)10-14(19(27)28)17-15(21)4-3-5-16(17)22/h3-11H,2H2,1H3,(H,23,24,25,26).
What are the key properties of 6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 412.28 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).