1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C20H15ClN4O2 — CID 69373361

IUPAC1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2c(=O)c3cccnc3n(-c3cccc(Cl)c3)c2=O)nc1
InChIInChI=1S/C20H15ClN4O2/c1-13-7-8-15(23-11-13)12-24-19(26)17-6-3-9-22-18(17)25(20(24)27)16-5-2-4-14(21)10-16/h2-11H,12H2,1H3
InChIKeyYQIUGQHIWWWXNM-UHFFFAOYSA-N
MW378.82 g/mol
LogP2.95
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione

1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 69373361) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID69373361
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2c(=O)c3cccnc3n(-c3cccc(Cl)c3)c2=O)nc1
InChIInChI=1S/C20H15ClN4O2/c1-13-7-8-15(23-11-13)12-24-19(26)17-6-3-9-22-18(17)25(20(24)27)16-5-2-4-14(21)10-16/h2-11H,12H2,1H3
InChIKeyYQIUGQHIWWWXNM-UHFFFAOYSA-N
XLogP2.95
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 69373361) is 1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is Cc1ccc(Cn2c(=O)c3cccnc3n(-c3cccc(Cl)c3)c2=O)nc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YQIUGQHIWWWXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-13-7-8-15(23-11-13)12-24-19(26)17-6-3-9-22-18(17)25(20(24)27)16-5-2-4-14(21)10-16/h2-11H,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 378.82 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 69373361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).