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

C20H17F6N3O — CID 74434300

IUPAC3-methyl-N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC1CN(c2ncccc2C(F)(F)F)CC=C1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F6N3O/c1-12-11-29(17-16(20(24,25)26)3-2-9-27-17)10-8-15(12)18(30)28-14-6-4-13(5-7-14)19(21,22)23/h2-9,12H,10-11H2,1H3,(H,28,30)
InChIKeyYBPNMHBLWURAAZ-UHFFFAOYSA-N
MW429.36 g/mol
LogP5.14
Rot. Bonds3

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

3-methyl-N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 74434300) has the molecular formula C20H17F6N3O and a molecular weight of 429.36 g/mol. Its IUPAC name is 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID74434300
Molecular FormulaC20H17F6N3O
Molecular Weight429.36 g/mol
Exact Mass429.13
IUPAC Name3-methyl-N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC1CN(c2ncccc2C(F)(F)F)CC=C1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F6N3O/c1-12-11-29(17-16(20(24,25)26)3-2-9-27-17)10-8-15(12)18(30)28-14-6-4-13(5-7-14)19(21,22)23/h2-9,12H,10-11H2,1H3,(H,28,30)
InChIKeyYBPNMHBLWURAAZ-UHFFFAOYSA-N
XLogP5.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.36
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 74434300) is 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide is CC1CN(c2ncccc2C(F)(F)F)CC=C1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is YBPNMHBLWURAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F6N3O/c1-12-11-29(17-16(20(24,25)26)3-2-9-27-17)10-8-15(12)18(30)28-14-6-4-13(5-7-14)19(21,22)23/h2-9,12H,10-11H2,1H3,(H,28,30).
What are the key properties of 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
3-methyl-N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 429.36 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 74434300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).