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

C16H23F3N4O2 — CID 136533765

IUPAC3-methyl-4-oxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCn1cnc2c(c1=O)CCN(C(=O)NC(CC(C)(C)C)C(F)(F)F)C2
InChIInChI=1S/C16H23F3N4O2/c1-15(2,3)7-12(16(17,18)19)21-14(25)23-6-5-10-11(8-23)20-9-22(4)13(10)24/h9,12H,5-8H2,1-4H3,(H,21,25)
InChIKeyZLHPJERODHOXFB-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.22
Rot. Bonds2

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

3-methyl-4-oxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 136533765) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID136533765
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name3-methyl-4-oxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCn1cnc2c(c1=O)CCN(C(=O)NC(CC(C)(C)C)C(F)(F)F)C2
InChIInChI=1S/C16H23F3N4O2/c1-15(2,3)7-12(16(17,18)19)21-14(25)23-6-5-10-11(8-23)20-9-22(4)13(10)24/h9,12H,5-8H2,1-4H3,(H,21,25)
InChIKeyZLHPJERODHOXFB-UHFFFAOYSA-N
XLogP2.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.22
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-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 136533765) is 3-methyl-4-oxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is Cn1cnc2c(c1=O)CCN(C(=O)NC(CC(C)(C)C)C(F)(F)F)C2.
What is the InChIKey of 3-methyl-4-oxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is ZLHPJERODHOXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-15(2,3)7-12(16(17,18)19)21-14(25)23-6-5-10-11(8-23)20-9-22(4)13(10)24/h9,12H,5-8H2,1-4H3,(H,21,25).
What are the key properties of 3-methyl-4-oxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
3-methyl-4-oxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 2.22, 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-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 136533765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).