8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C25H18N4O3 — CID 66557396

IUPAC8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=C(Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2)c1ccc2ccccc2c1
InChIInChI=1S/C25H18N4O3/c30-22(20-10-9-18-6-1-2-7-19(18)13-20)16-28-12-4-8-21-23(28)27-25(32)29(24(21)31)15-17-5-3-11-26-14-17/h1-14H,15-16H2
InChIKeyBCIFOFXHAUDSBR-UHFFFAOYSA-N
MW422.44 g/mol
LogP2.99
Rot. Bonds5

About 8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 66557396) has the molecular formula C25H18N4O3 and a molecular weight of 422.44 g/mol. Its IUPAC name is 8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID66557396
Molecular FormulaC25H18N4O3
Molecular Weight422.44 g/mol
Exact Mass422.14
IUPAC Name8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=C(Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2)c1ccc2ccccc2c1
InChIInChI=1S/C25H18N4O3/c30-22(20-10-9-18-6-1-2-7-19(18)13-20)16-28-12-4-8-21-23(28)27-25(32)29(24(21)31)15-17-5-3-11-26-14-17/h1-14H,15-16H2
InChIKeyBCIFOFXHAUDSBR-UHFFFAOYSA-N
XLogP2.99
TPSA86.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 56725582
2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide
CID 56725553
2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methoxyphenyl)acetamide
CID 56725549
N-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide
CID 56725541
8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 56725507
8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 66557401
8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 56725529
2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-2-ylethanone
CID 18077394
1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one
CID 105121412
2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 150776765
N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]naphthalene-2-carboxamide
CID 16895883
3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 56725503

Frequently Asked Questions

What is the IUPAC name of 8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 66557396) is 8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is O=C(Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2)c1ccc2ccccc2c1.
What is the InChIKey of 8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BCIFOFXHAUDSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O3/c30-22(20-10-9-18-6-1-2-7-19(18)13-20)16-28-12-4-8-21-23(28)27-25(32)29(24(21)31)15-17-5-3-11-26-14-17/h1-14H,15-16H2.
What are the key properties of 8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 422.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 66557396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).