6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one

C20H15Cl2N5O — CID 5327882

IUPAC6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCc3cccnc3)nc21
InChIInChI=1S/C20H15Cl2N5O/c1-27-18-13(8-14(19(27)28)17-15(21)5-2-6-16(17)22)11-25-20(26-18)24-10-12-4-3-7-23-9-12/h2-9,11H,10H2,1H3,(H,24,25,26)
InChIKeyXHGSDPKRXJOFGF-UHFFFAOYSA-N
MW412.28 g/mol
LogP4.31
Rot. Bonds4

About 6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327882) has the molecular formula C20H15Cl2N5O and a molecular weight of 412.28 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5327882
Molecular FormulaC20H15Cl2N5O
Molecular Weight412.28 g/mol
Exact Mass411.07
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCc3cccnc3)nc21
InChIInChI=1S/C20H15Cl2N5O/c1-27-18-13(8-14(19(27)28)17-15(21)5-2-6-16(17)22)11-25-20(26-18)24-10-12-4-3-7-23-9-12/h2-9,11H,10H2,1H3,(H,24,25,26)
InChIKeyXHGSDPKRXJOFGF-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one (CID 5327882) is 6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCc3cccnc3)nc21.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XHGSDPKRXJOFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O/c1-27-18-13(8-14(19(27)28)17-15(21)5-2-6-16(17)22)11-25-20(26-18)24-10-12-4-3-7-23-9-12/h2-9,11H,10H2,1H3,(H,24,25,26).
What are the key properties of 6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 412.28 g/mol, XLogP of 4.31, 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-methyl-2-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).