8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C20H14Cl2N4O2 — CID 66557401

IUPAC8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2n(Cc3cc(Cl)ccc3Cl)cccc-2c(=O)n1Cc1cccnc1
InChIInChI=1S/C20H14Cl2N4O2/c21-15-5-6-17(22)14(9-15)12-25-8-2-4-16-18(25)24-20(28)26(19(16)27)11-13-3-1-7-23-10-13/h1-10H,11-12H2
InChIKeyPNDMZHBQWJFXIE-UHFFFAOYSA-N
MW413.26 g/mol
LogP3.31
Rot. Bonds4

About 8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 66557401) has the molecular formula C20H14Cl2N4O2 and a molecular weight of 413.26 g/mol. Its IUPAC name is 8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID66557401
Molecular FormulaC20H14Cl2N4O2
Molecular Weight413.26 g/mol
Exact Mass412.05
IUPAC Name8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2n(Cc3cc(Cl)ccc3Cl)cccc-2c(=O)n1Cc1cccnc1
InChIInChI=1S/C20H14Cl2N4O2/c21-15-5-6-17(22)14(9-15)12-25-8-2-4-16-18(25)24-20(28)26(19(16)27)11-13-3-1-7-23-10-13/h1-10H,11-12H2
InChIKeyPNDMZHBQWJFXIE-UHFFFAOYSA-N
XLogP3.31
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 66557401) is 8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is O=c1nc2n(Cc3cc(Cl)ccc3Cl)cccc-2c(=O)n1Cc1cccnc1.
What is the InChIKey of 8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PNDMZHBQWJFXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O2/c21-15-5-6-17(22)14(9-15)12-25-8-2-4-16-18(25)24-20(28)26(19(16)27)11-13-3-1-7-23-10-13/h1-10H,11-12H2.
What are the key properties of 8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 413.26 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 66557401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).