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

C19H23F3N4O3 — CID 38665679

IUPACN-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
SMILESCCN(C(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O)C1CCCCC1
InChIInChI=1S/C19H23F3N4O3/c1-3-25(12-7-5-4-6-8-12)15(27)11-26-17(28)13-9-10-14(19(20,21)22)23-16(13)24(2)18(26)29/h9-10,12H,3-8,11H2,1-2H3
InChIKeyRDDCYEUGJONZDA-UHFFFAOYSA-N
MW412.41 g/mol
LogP2.30
Rot. Bonds4

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

N-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 38665679) has the molecular formula C19H23F3N4O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
PubChem CID38665679
Molecular FormulaC19H23F3N4O3
Molecular Weight412.41 g/mol
Exact Mass412.17
IUPAC NameN-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
SMILESCCN(C(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O)C1CCCCC1
InChIInChI=1S/C19H23F3N4O3/c1-3-25(12-7-5-4-6-8-12)15(27)11-26-17(28)13-9-10-14(19(20,21)22)23-16(13)24(2)18(26)29/h9-10,12H,3-8,11H2,1-2H3
InChIKeyRDDCYEUGJONZDA-UHFFFAOYSA-N
XLogP2.30
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide (CID 38665679) is N-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide is CCN(C(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is RDDCYEUGJONZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3/c1-3-25(12-7-5-4-6-8-12)15(27)11-26-17(28)13-9-10-14(19(20,21)22)23-16(13)24(2)18(26)29/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?
N-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 412.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 38665679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).