4-(methylamino)-1-(3-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

C15H12F3N5O — CID 150251289

IUPAC4-(methylamino)-1-(3-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCNc1nc(=O)n(-c2ncccc2C)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H12F3N5O/c1-8-4-3-7-20-12(8)23-13-9(11(19-2)22-14(23)24)5-6-10(21-13)15(16,17)18/h3-7H,1-2H3,(H,19,22,24)
InChIKeyFZPNIWGTEMTMFA-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.54
Rot. Bonds2

About 4-(methylamino)-1-(3-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

4-(methylamino)-1-(3-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 150251289) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is 4-(methylamino)-1-(3-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(methylamino)-1-(3-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID150251289
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC Name4-(methylamino)-1-(3-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCNc1nc(=O)n(-c2ncccc2C)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H12F3N5O/c1-8-4-3-7-20-12(8)23-13-9(11(19-2)22-14(23)24)5-6-10(21-13)15(16,17)18/h3-7H,1-2H3,(H,19,22,24)
InChIKeyFZPNIWGTEMTMFA-UHFFFAOYSA-N
XLogP2.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-(3-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(methylamino)-1-(3-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (CID 150251289) is 4-(methylamino)-1-(3-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(methylamino)-1-(3-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(methylamino)-1-(3-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is CNc1nc(=O)n(-c2ncccc2C)c2nc(C(F)(F)F)ccc12.
What is the InChIKey of 4-(methylamino)-1-(3-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is FZPNIWGTEMTMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O/c1-8-4-3-7-20-12(8)23-13-9(11(19-2)22-14(23)24)5-6-10(21-13)15(16,17)18/h3-7H,1-2H3,(H,19,22,24).
What are the key properties of 4-(methylamino)-1-(3-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
4-(methylamino)-1-(3-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 335.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-(3-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 150251289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).