2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide

C23H19F3N4O3 — CID 33365540

IUPAC2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
SMILESC[C@H](NC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O)c1cccc2ccccc12
InChIInChI=1S/C23H19F3N4O3/c1-13(15-9-5-7-14-6-3-4-8-16(14)15)27-19(31)12-30-21(32)17-10-11-18(23(24,25)26)28-20(17)29(2)22(30)33/h3-11,13H,12H2,1-2H3,(H,27,31)/t13-/m0/s1
InChIKeyWMEKFUWZYWNOCJ-ZDUSSCGKSA-N
MW456.42 g/mol
LogP3.14
Rot. Bonds4

About 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide

2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide (PubChem CID 33365540) has the molecular formula C23H19F3N4O3 and a molecular weight of 456.42 g/mol. Its IUPAC name is 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
PubChem CID33365540
Molecular FormulaC23H19F3N4O3
Molecular Weight456.42 g/mol
Exact Mass456.14
IUPAC Name2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
SMILESC[C@H](NC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O)c1cccc2ccccc12
InChIInChI=1S/C23H19F3N4O3/c1-13(15-9-5-7-14-6-3-4-8-16(14)15)27-19(31)12-30-21(32)17-10-11-18(23(24,25)26)28-20(17)29(2)22(30)33/h3-11,13H,12H2,1-2H3,(H,27,31)/t13-/m0/s1
InChIKeyWMEKFUWZYWNOCJ-ZDUSSCGKSA-N
XLogP3.14
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665559
N-(2,1,3-benzothiadiazol-4-yl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38666355
N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665433
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N-(2-chloro-5-nitrophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665707
N-[(1R)-1-naphthalen-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 95276423
3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 33365062
N-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665679
methyl 1,7-dimethyl-2,4-dioxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate
CID 50812800
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
3-[(2-chloroquinolin-3-yl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 38666709
1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 71933639

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide?
The IUPAC name of 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide (CID 33365540) is 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide.
What is the SMILES notation for 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide?
The canonical SMILES for 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide is C[C@H](NC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O)c1cccc2ccccc12.
What is the InChIKey of 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide?
The InChIKey is WMEKFUWZYWNOCJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H19F3N4O3/c1-13(15-9-5-7-14-6-3-4-8-16(14)15)27-19(31)12-30-21(32)17-10-11-18(23(24,25)26)28-20(17)29(2)22(30)33/h3-11,13H,12H2,1-2H3,(H,27,31)/t13-/m0/s1.
What are the key properties of 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide?
2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide has a molecular weight of 456.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide is sourced from PubChem (CID 33365540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).