4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide

C19H15F3N4O3 — CID 142592634

IUPAC4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nc(C(F)(F)F)ncc2C(=O)Nc2ccncc2)cc1OC
InChIInChI=1S/C19H15F3N4O3/c1-28-14-4-3-11(9-15(14)29-2)16-13(10-24-18(26-16)19(20,21)22)17(27)25-12-5-7-23-8-6-12/h3-10H,1-2H3,(H,23,25,27)
InChIKeyWYPQDUGRCRAKKH-UHFFFAOYSA-N
MW404.35 g/mol
LogP3.83
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide

4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 142592634) has the molecular formula C19H15F3N4O3 and a molecular weight of 404.35 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID142592634
Molecular FormulaC19H15F3N4O3
Molecular Weight404.35 g/mol
Exact Mass404.11
IUPAC Name4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nc(C(F)(F)F)ncc2C(=O)Nc2ccncc2)cc1OC
InChIInChI=1S/C19H15F3N4O3/c1-28-14-4-3-11(9-15(14)29-2)16-13(10-24-18(26-16)19(20,21)22)17(27)25-12-5-7-23-8-6-12/h3-10H,1-2H3,(H,23,25,27)
InChIKeyWYPQDUGRCRAKKH-UHFFFAOYSA-N
XLogP3.83
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 142592634) is 4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide is COc1ccc(-c2nc(C(F)(F)F)ncc2C(=O)Nc2ccncc2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is WYPQDUGRCRAKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3/c1-28-14-4-3-11(9-15(14)29-2)16-13(10-24-18(26-16)19(20,21)22)17(27)25-12-5-7-23-8-6-12/h3-10H,1-2H3,(H,23,25,27).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 404.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 142592634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).