N-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide

C14H13F3N4O3 — CID 59848500

IUPACN-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(OC)nc(CNC(=O)c2cnccc2C(F)(F)F)n1
InChIInChI=1S/C14H13F3N4O3/c1-23-11-5-12(24-2)21-10(20-11)7-19-13(22)8-6-18-4-3-9(8)14(15,16)17/h3-6H,7H2,1-2H3,(H,19,22)
InChIKeyLCRNEHFHINEANP-UHFFFAOYSA-N
MW342.28 g/mol
LogP1.84
Rot. Bonds5

About N-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 59848500) has the molecular formula C14H13F3N4O3 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID59848500
Molecular FormulaC14H13F3N4O3
Molecular Weight342.28 g/mol
Exact Mass342.09
IUPAC NameN-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(OC)nc(CNC(=O)c2cnccc2C(F)(F)F)n1
InChIInChI=1S/C14H13F3N4O3/c1-23-11-5-12(24-2)21-10(20-11)7-19-13(22)8-6-18-4-3-9(8)14(15,16)17/h3-6H,7H2,1-2H3,(H,19,22)
InChIKeyLCRNEHFHINEANP-UHFFFAOYSA-N
XLogP1.84
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 59848500) is N-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide is COc1cc(OC)nc(CNC(=O)c2cnccc2C(F)(F)F)n1.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LCRNEHFHINEANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O3/c1-23-11-5-12(24-2)21-10(20-11)7-19-13(22)8-6-18-4-3-9(8)14(15,16)17/h3-6H,7H2,1-2H3,(H,19,22).
What are the key properties of N-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 342.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59848500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).