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

C16H17F3N4O3 — CID 38665559

IUPACN-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
SMILESCn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C16H17F3N4O3/c1-22-13-10(6-7-11(21-13)16(17,18)19)14(25)23(15(22)26)8-12(24)20-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,20,24)
InChIKeyFEQFMQHCGFZWMT-UHFFFAOYSA-N
MW370.33 g/mol
LogP1.17
Rot. Bonds3

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

N-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 38665559) has the molecular formula C16H17F3N4O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
PubChem CID38665559
Molecular FormulaC16H17F3N4O3
Molecular Weight370.33 g/mol
Exact Mass370.13
IUPAC NameN-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
SMILESCn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C16H17F3N4O3/c1-22-13-10(6-7-11(21-13)16(17,18)19)14(25)23(15(22)26)8-12(24)20-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,20,24)
InChIKeyFEQFMQHCGFZWMT-UHFFFAOYSA-N
XLogP1.17
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665679
2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 33365540
propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate
CID 33364929
2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxopyrimido[4,5-d]pyrimidin-3-yl]-N-cycloheptylacetamide
CID 53116238
N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665433
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-5-nitrophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665707
1-methyl-3-[2-(4-methylphenoxy)ethyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 38666059
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-cycloheptylacetamide
CID 51139859
3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 33365062
1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 71933639
N-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide
CID 26435326

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide (CID 38665559) is N-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide is Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2ccc(C(F)(F)F)nc21.
What is the InChIKey of N-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is FEQFMQHCGFZWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3/c1-22-13-10(6-7-11(21-13)16(17,18)19)14(25)23(15(22)26)8-12(24)20-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,20,24).
What are the key properties of N-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
N-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 370.33 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 38665559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).