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

C21H24F3N5O2 — CID 71540075

IUPAC2-(ethylamino)-6-[3-[4-(2,2,2-trifluoroethyl)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
SMILESCCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(CC(F)(F)F)cc1)CC2
InChIInChI=1S/C21H24F3N5O2/c1-2-26-20-27-16-9-10-29(12-15(16)18(28-20)19(25)31)17(30)8-7-13-3-5-14(6-4-13)11-21(22,23)24/h3-6H,2,7-12H2,1H3,(H2,25,31)(H,26,27,28)
InChIKeyYOBBMLUJYRHUBY-UHFFFAOYSA-N
MW435.45 g/mol
LogP2.63
Rot. Bonds7

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

2-(ethylamino)-6-[3-[4-(2,2,2-trifluoroethyl)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide (PubChem CID 71540075) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is 2-(ethylamino)-6-[3-[4-(2,2,2-trifluoroethyl)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-6-[3-[4-(2,2,2-trifluoroethyl)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
PubChem CID71540075
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC Name2-(ethylamino)-6-[3-[4-(2,2,2-trifluoroethyl)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
SMILESCCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(CC(F)(F)F)cc1)CC2
InChIInChI=1S/C21H24F3N5O2/c1-2-26-20-27-16-9-10-29(12-15(16)18(28-20)19(25)31)17(30)8-7-13-3-5-14(6-4-13)11-21(22,23)24/h3-6H,2,7-12H2,1H3,(H2,25,31)(H,26,27,28)
InChIKeyYOBBMLUJYRHUBY-UHFFFAOYSA-N
XLogP2.63
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-[3-[4-(2,2,2-trifluoroethyl)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-6-[3-[4-(2,2,2-trifluoroethyl)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide (CID 71540075) is 2-(ethylamino)-6-[3-[4-(2,2,2-trifluoroethyl)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-6-[3-[4-(2,2,2-trifluoroethyl)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-6-[3-[4-(2,2,2-trifluoroethyl)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide is CCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(CC(F)(F)F)cc1)CC2.
What is the InChIKey of 2-(ethylamino)-6-[3-[4-(2,2,2-trifluoroethyl)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The InChIKey is YOBBMLUJYRHUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c1-2-26-20-27-16-9-10-29(12-15(16)18(28-20)19(25)31)17(30)8-7-13-3-5-14(6-4-13)11-21(22,23)24/h3-6H,2,7-12H2,1H3,(H2,25,31)(H,26,27,28).
What are the key properties of 2-(ethylamino)-6-[3-[4-(2,2,2-trifluoroethyl)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
2-(ethylamino)-6-[3-[4-(2,2,2-trifluoroethyl)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide has a molecular weight of 435.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-[3-[4-(2,2,2-trifluoroethyl)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 71540075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).