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

C19H13Cl2N5O — CID 5327889

IUPAC6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccncc3)nc21
InChIInChI=1S/C19H13Cl2N5O/c1-26-17-11(10-23-19(25-17)24-12-5-7-22-8-6-12)9-13(18(26)27)16-14(20)3-2-4-15(16)21/h2-10H,1H3,(H,22,23,24,25)
InChIKeyYOKSFKATMBKCHB-UHFFFAOYSA-N
MW398.25 g/mol
LogP4.44
Rot. Bonds3

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

6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327889) has the molecular formula C19H13Cl2N5O and a molecular weight of 398.25 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5327889
Molecular FormulaC19H13Cl2N5O
Molecular Weight398.25 g/mol
Exact Mass397.05
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccncc3)nc21
InChIInChI=1S/C19H13Cl2N5O/c1-26-17-11(10-23-19(25-17)24-12-5-7-22-8-6-12)9-13(18(26)27)16-14(20)3-2-4-15(16)21/h2-10H,1H3,(H,22,23,24,25)
InChIKeyYOKSFKATMBKCHB-UHFFFAOYSA-N
XLogP4.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 54.44
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-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 5327889) is 6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccncc3)nc21.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YOKSFKATMBKCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O/c1-26-17-11(10-23-19(25-17)24-12-5-7-22-8-6-12)9-13(18(26)27)16-14(20)3-2-4-15(16)21/h2-10H,1H3,(H,22,23,24,25).
What are the key properties of 6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-8-methyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 398.25 g/mol, XLogP of 4.44, 3 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-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).