6-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide

C17H16F3N3O — CID 145007477

IUPAC6-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)CCCC3)nc(C(F)(F)F)n1
InChIInChI=1S/C17H16F3N3O/c1-10-8-14(23-16(21-10)17(18,19)20)15(24)22-13-7-6-11-4-2-3-5-12(11)9-13/h6-9H,2-5H2,1H3,(H,22,24)
InChIKeyRODBPUSRGGKVGR-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.93
Rot. Bonds2

About 6-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide

6-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 145007477) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 6-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID145007477
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name6-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)CCCC3)nc(C(F)(F)F)n1
InChIInChI=1S/C17H16F3N3O/c1-10-8-14(23-16(21-10)17(18,19)20)15(24)22-13-7-6-11-4-2-3-5-12(11)9-13/h6-9H,2-5H2,1H3,(H,22,24)
InChIKeyRODBPUSRGGKVGR-UHFFFAOYSA-N
XLogP3.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazine-2-carboxamide
CID 110792487
4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide
CID 140896281
N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33167941
N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703046
6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321669
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109335535
N-(2,3-dihydro-1H-inden-5-yl)-5-hydrazinylpyridine-2-carboxamide
CID 104642215
3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 82109369
N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110865349
methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate
CID 32642819
N-(2,3-dihydro-1H-inden-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 38651828
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide (CID 145007477) is 6-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)CCCC3)nc(C(F)(F)F)n1.
What is the InChIKey of 6-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is RODBPUSRGGKVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-10-8-14(23-16(21-10)17(18,19)20)15(24)22-13-7-6-11-4-2-3-5-12(11)9-13/h6-9H,2-5H2,1H3,(H,22,24).
What are the key properties of 6-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
6-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 145007477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).