3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C14H19F3N4O2 — CID 146089896

IUPAC3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCC(C)[C@H](NC(=O)N1CCc2c(ncn(C)c2=O)C1)C(F)(F)F
InChIInChI=1S/C14H19F3N4O2/c1-8(2)11(14(15,16)17)19-13(23)21-5-4-9-10(6-21)18-7-20(3)12(9)22/h7-8,11H,4-6H2,1-3H3,(H,19,23)/t11-/m0/s1
InChIKeyUWONEXGHFQBGQH-NSHDSACASA-N
MW332.33 g/mol
LogP1.43
Rot. Bonds2

About 3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 146089896) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID146089896
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCC(C)[C@H](NC(=O)N1CCc2c(ncn(C)c2=O)C1)C(F)(F)F
InChIInChI=1S/C14H19F3N4O2/c1-8(2)11(14(15,16)17)19-13(23)21-5-4-9-10(6-21)18-7-20(3)12(9)22/h7-8,11H,4-6H2,1-3H3,(H,19,23)/t11-/m0/s1
InChIKeyUWONEXGHFQBGQH-NSHDSACASA-N
XLogP1.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 146089896) is 3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is CC(C)[C@H](NC(=O)N1CCc2c(ncn(C)c2=O)C1)C(F)(F)F.
What is the InChIKey of 3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is UWONEXGHFQBGQH-NSHDSACASA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-8(2)11(14(15,16)17)19-13(23)21-5-4-9-10(6-21)18-7-20(3)12(9)22/h7-8,11H,4-6H2,1-3H3,(H,19,23)/t11-/m0/s1.
What are the key properties of 3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 146089896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).