N-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide

C19H13Cl2F3N4O3 — CID 142592636

IUPACN-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nc(C(F)(F)F)ncc2C(=O)Nc2c(Cl)cncc2Cl)cc1OC
InChIInChI=1S/C19H13Cl2F3N4O3/c1-30-13-4-3-9(5-14(13)31-2)15-10(6-26-18(28-15)19(22,23)24)17(29)27-16-11(20)7-25-8-12(16)21/h3-8H,1-2H3,(H,25,27,29)
InChIKeyNTYCZROBEUBTBF-UHFFFAOYSA-N
MW473.24 g/mol
LogP5.13
Rot. Bonds5

About N-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide

N-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 142592636) has the molecular formula C19H13Cl2F3N4O3 and a molecular weight of 473.24 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID142592636
Molecular FormulaC19H13Cl2F3N4O3
Molecular Weight473.24 g/mol
Exact Mass472.03
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nc(C(F)(F)F)ncc2C(=O)Nc2c(Cl)cncc2Cl)cc1OC
InChIInChI=1S/C19H13Cl2F3N4O3/c1-30-13-4-3-9(5-14(13)31-2)15-10(6-26-18(28-15)19(22,23)24)17(29)27-16-11(20)7-25-8-12(16)21/h3-8H,1-2H3,(H,25,27,29)
InChIKeyNTYCZROBEUBTBF-UHFFFAOYSA-N
XLogP5.13
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.24
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-N-[1-(4-chlorophenyl)propan-2-yl]-4-(2,6-dimethoxypyridin-3-yl)pyrimidine-5-carboxamide
CID 25218731
2-(3-Chlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid 4-methoxybenzylamide
CID 10455714
N,4-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 142592630
N-cyclopropyl-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 142592631
4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 142592634
4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide
CID 142592635
4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 142592650
N-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 142592660
4-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 142592661
4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 142592663
4-(3,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 145987995
N-(2-chloropyridin-3-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1110996

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 142592636) is N-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide is COc1ccc(-c2nc(C(F)(F)F)ncc2C(=O)Nc2c(Cl)cncc2Cl)cc1OC.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is NTYCZROBEUBTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F3N4O3/c1-30-13-4-3-9(5-14(13)31-2)15-10(6-26-18(28-15)19(22,23)24)17(29)27-16-11(20)7-25-8-12(16)21/h3-8H,1-2H3,(H,25,27,29).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 473.24 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 142592636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).