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

C19H15F6N3O — CID 11338988

IUPACN-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C19H15F6N3O/c20-18(21,22)13-3-5-14(6-4-13)27-17(29)12-7-10-28(11-8-12)16-15(19(23,24)25)2-1-9-26-16/h1-7,9H,8,10-11H2,(H,27,29)
InChIKeySTLPFFOBJRJDSS-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.89
Rot. Bonds3

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

N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 11338988) has the molecular formula C19H15F6N3O and a molecular weight of 415.34 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID11338988
Molecular FormulaC19H15F6N3O
Molecular Weight415.34 g/mol
Exact Mass415.11
IUPAC NameN-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C19H15F6N3O/c20-18(21,22)13-3-5-14(6-4-13)27-17(29)12-7-10-28(11-8-12)16-15(19(23,24)25)2-1-9-26-16/h1-7,9H,8,10-11H2,(H,27,29)
InChIKeySTLPFFOBJRJDSS-UHFFFAOYSA-N
XLogP4.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 81976
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(3S)-1-(3-chloropyridin-2-yl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 25224408
C-1368
CID 9549303
Nevirapin 2,4-Disubstituted deriv. 12a
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4-[(4-{[3-(Trifluoromethyl)phenyl]amino}pyrimidin-2-Yl)amino]benzamide
CID 60138155
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CID 44157745
N-(4-methylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carboxamide
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1-[5-(Trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
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CID 2985532

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 11338988) is N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is STLPFFOBJRJDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N3O/c20-18(21,22)13-3-5-14(6-4-13)27-17(29)12-7-10-28(11-8-12)16-15(19(23,24)25)2-1-9-26-16/h1-7,9H,8,10-11H2,(H,27,29).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 415.34 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 11338988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).