(3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide

C20H20F3N3O — CID 67008163

IUPAC(3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1cccnc1N1CC=C(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)C1
InChIInChI=1S/C20H20F3N3O/c1-13-4-3-10-24-18(13)26-11-9-17(14(2)12-26)19(27)25-16-7-5-15(6-8-16)20(21,22)23/h3-10,14H,11-12H2,1-2H3,(H,25,27)/t14-/m0/s1
InChIKeyPTEUJBIHCUQCNI-AWEZNQCLSA-N
MW375.39 g/mol
LogP4.43
Rot. Bonds3

About (3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide

(3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 67008163) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is (3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID67008163
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC Name(3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1cccnc1N1CC=C(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)C1
InChIInChI=1S/C20H20F3N3O/c1-13-4-3-10-24-18(13)26-11-9-17(14(2)12-26)19(27)25-16-7-5-15(6-8-16)20(21,22)23/h3-10,14H,11-12H2,1-2H3,(H,25,27)/t14-/m0/s1
InChIKeyPTEUJBIHCUQCNI-AWEZNQCLSA-N
XLogP4.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide with MolForge

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Related Compounds

(3R)-N-(4-tert-butylphenyl)-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 67007688
3-methyl-N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 74434300
(3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 67008368
4-(3-chloro-2-pyridinyl)-4-fluoro-6-methyl-N-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide
CID 42597431
1-[4-(trifluoromethyl)phenyl]-3-[(1R,5S)-3-[3-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]urea
CID 87651675
2-methyl-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430396
N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)-1λ3,4-iodazinane-1-carboxamide
CID 143590862
4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide
CID 42600843
(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 58665278
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430023
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 68872500

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of (3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 67008163) is (3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for (3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for (3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is Cc1cccnc1N1CC=C(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)C1.
What is the InChIKey of (3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is PTEUJBIHCUQCNI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20F3N3O/c1-13-4-3-10-24-18(13)26-11-9-17(14(2)12-26)19(27)25-16-7-5-15(6-8-16)20(21,22)23/h3-10,14H,11-12H2,1-2H3,(H,25,27)/t14-/m0/s1.
What are the key properties of (3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
(3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 67008163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).