1,3-dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C18H21F3N4O3 — CID 110264740

IUPAC1,3-dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCC(=O)N1CCCC(c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)C1
InChIInChI=1S/C18H21F3N4O3/c1-4-13(26)25-7-5-6-10(9-25)12-8-11(18(19,20)21)14-15(22-12)23(2)17(28)24(3)16(14)27/h8,10H,4-7,9H2,1-3H3
InChIKeyCFHOIXIMRPCULS-UHFFFAOYSA-N
MW398.39 g/mol
LogP1.77
Rot. Bonds2

About 1,3-dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 110264740) has the molecular formula C18H21F3N4O3 and a molecular weight of 398.39 g/mol. Its IUPAC name is 1,3-dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID110264740
Molecular FormulaC18H21F3N4O3
Molecular Weight398.39 g/mol
Exact Mass398.16
IUPAC Name1,3-dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCC(=O)N1CCCC(c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)C1
InChIInChI=1S/C18H21F3N4O3/c1-4-13(26)25-7-5-6-10(9-25)12-8-11(18(19,20)21)14-15(22-12)23(2)17(28)24(3)16(14)27/h8,10H,4-7,9H2,1-3H3
InChIKeyCFHOIXIMRPCULS-UHFFFAOYSA-N
XLogP1.77
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

1,3-Dimethyl-1,2,3,4-tetrahydropyrimido[4,5-b]quinoline-2,4-dione
CID 2785858
1,3-dimethyl-8-phenyl-8,9-dihydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 4891701
Tcmdc-123937
CID 317953
3-Benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 10451222
7-Amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11529688
3-Benzyl-5-(2-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 44371024
1-Methyl-3-benzyl-5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-2,4-dione
CID 44371049
3-Benzyl-1-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 44371184
1,3,5,7-Tetramethyl-6-[3-oxo-3-(4-phenylpiperazin-1-YL)propyl]-1H,2H,3H,4H-pyrido[2,3-D]pyrimidine-2,4-dione
CID 16008634
1-Benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 2101204
7-(4-Methylphenyl)-1-propyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2474394
1-Butyl-3-methyl-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2999640

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 110264740) is 1,3-dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCC(=O)N1CCCC(c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)C1.
What is the InChIKey of 1,3-dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CFHOIXIMRPCULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O3/c1-4-13(26)25-7-5-6-10(9-25)12-8-11(18(19,20)21)14-15(22-12)23(2)17(28)24(3)16(14)27/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 1,3-dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 398.39 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 110264740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).