6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide

C18H17F3N6O3 — CID 169005985

IUPAC6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
SMILESCOCCOc1cc(C(=O)Nc2ccnc(C(F)(F)F)c2)nc(-c2nccn2C)n1
InChIInChI=1S/C18H17F3N6O3/c1-27-6-5-23-16(27)15-25-12(10-14(26-15)30-8-7-29-2)17(28)24-11-3-4-22-13(9-11)18(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,24,28)
InChIKeySCFIFHCMKOWITC-UHFFFAOYSA-N
MW422.37 g/mol
LogP2.57
Rot. Bonds7

About 6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide

6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 169005985) has the molecular formula C18H17F3N6O3 and a molecular weight of 422.37 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
PubChem CID169005985
Molecular FormulaC18H17F3N6O3
Molecular Weight422.37 g/mol
Exact Mass422.13
IUPAC Name6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
SMILESCOCCOc1cc(C(=O)Nc2ccnc(C(F)(F)F)c2)nc(-c2nccn2C)n1
InChIInChI=1S/C18H17F3N6O3/c1-27-6-5-23-16(27)15-25-12(10-14(26-15)30-8-7-29-2)17(28)24-11-3-4-22-13(9-11)18(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,24,28)
InChIKeySCFIFHCMKOWITC-UHFFFAOYSA-N
XLogP2.57
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169006005
2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 163252999
6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide
CID 166481283
6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005991
ethyl 3-[3-(2-methoxyethoxy)-5-[[2-(trifluoromethyl)-4-pyridinyl]carbamoyl]phenyl]imidazole-4-carboxylate
CID 171566284
3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 171566301
2-(4-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166976301
2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol
CID 162732154
6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005996
2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 130387825
N-[2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 150263020
5-chloro-2-hydroxy-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 168876082

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide (CID 169005985) is 6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide is COCCOc1cc(C(=O)Nc2ccnc(C(F)(F)F)c2)nc(-c2nccn2C)n1.
What is the InChIKey of 6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is SCFIFHCMKOWITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O3/c1-27-6-5-23-16(27)15-25-12(10-14(26-15)30-8-7-29-2)17(28)24-11-3-4-22-13(9-11)18(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,24,28).
What are the key properties of 6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?
6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 422.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 169005985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).