2-ethyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide

C20H21F3N4O3 — CID 71540078

IUPAC2-ethyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
SMILESCCc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)CC2
InChIInChI=1S/C20H21F3N4O3/c1-2-16-25-15-9-10-27(11-14(15)18(26-16)19(24)29)17(28)8-5-12-3-6-13(7-4-12)30-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,29)
InChIKeyVYKWUKHQWPYYBR-UHFFFAOYSA-N
MW422.41 g/mol
LogP2.55
Rot. Bonds6

About 2-ethyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide

2-ethyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide (PubChem CID 71540078) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 2-ethyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
PubChem CID71540078
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Name2-ethyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
SMILESCCc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)CC2
InChIInChI=1S/C20H21F3N4O3/c1-2-16-25-15-9-10-27(11-14(15)18(26-16)19(24)29)17(28)8-5-12-3-6-13(7-4-12)30-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,29)
InChIKeyVYKWUKHQWPYYBR-UHFFFAOYSA-N
XLogP2.55
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The IUPAC name of 2-ethyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide (CID 71540078) is 2-ethyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-ethyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for 2-ethyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide is CCc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)CC2.
What is the InChIKey of 2-ethyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The InChIKey is VYKWUKHQWPYYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c1-2-16-25-15-9-10-27(11-14(15)18(26-16)19(24)29)17(28)8-5-12-3-6-13(7-4-12)30-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,29).
What are the key properties of 2-ethyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
2-ethyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 71540078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).