N-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide

C20H16F3N3O — CID 58484049

IUPACN-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide
SMILESCC(C(=O)Nc1cccnc1)c1cccc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H16F3N3O/c1-13(19(27)25-16-7-4-10-24-12-16)17-8-3-9-18(26-17)14-5-2-6-15(11-14)20(21,22)23/h2-13H,1H3,(H,25,27)
InChIKeyPYOUPHWMBOTRJG-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.90
Rot. Bonds4

About N-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide

N-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide (PubChem CID 58484049) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is N-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide
PubChem CID58484049
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC NameN-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide
SMILESCC(C(=O)Nc1cccnc1)c1cccc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H16F3N3O/c1-13(19(27)25-16-7-4-10-24-12-16)17-8-3-9-18(26-17)14-5-2-6-15(11-14)20(21,22)23/h2-13H,1H3,(H,25,27)
InChIKeyPYOUPHWMBOTRJG-UHFFFAOYSA-N
XLogP4.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1,4-dimethyl-N-pyridin-3-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 130436988
(2S)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-pyridin-3-ylpropanamide
CID 993284
4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 71286698
1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea
CID 108865005
N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide
CID 86807604
2,2-difluoro-N-pyridin-3-ylacetamide
CID 103600571
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624
2-methyl-2-[6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]propanoic acid
CID 58004358
N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide
CID 44554952
N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide
CID 46224438
2-methyl-3-sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 167244697
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 62853406

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide?
The IUPAC name of N-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide (CID 58484049) is N-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide.
What is the SMILES notation for N-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide?
The canonical SMILES for N-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide is CC(C(=O)Nc1cccnc1)c1cccc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide?
The InChIKey is PYOUPHWMBOTRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-13(19(27)25-16-7-4-10-24-12-16)17-8-3-9-18(26-17)14-5-2-6-15(11-14)20(21,22)23/h2-13H,1H3,(H,25,27).
What are the key properties of N-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide?
N-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide has a molecular weight of 371.36 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 58484049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).