N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C21H18F3N3O — CID 91816031

IUPACN-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)NCc1cccnc1-c1ccncc1
InChIInChI=1S/C21H18F3N3O/c22-21(23,24)18-6-3-15(4-7-18)5-8-19(28)27-14-17-2-1-11-26-20(17)16-9-12-25-13-10-16/h1-4,6-7,9-13H,5,8,14H2,(H,27,28)
InChIKeyMYLNLQYGBYGVKL-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.41
Rot. Bonds6

About N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 91816031) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID91816031
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC NameN-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)NCc1cccnc1-c1ccncc1
InChIInChI=1S/C21H18F3N3O/c22-21(23,24)18-6-3-15(4-7-18)5-8-19(28)27-14-17-2-1-11-26-20(17)16-9-12-25-13-10-16/h1-4,6-7,9-13H,5,8,14H2,(H,27,28)
InChIKeyMYLNLQYGBYGVKL-UHFFFAOYSA-N
XLogP4.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91816064
3-(4-methylsulfonylphenyl)-N-[(2-pyridin-3-yl-3-pyridinyl)methyl]propanamide
CID 91817157
3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 37487440
N-[(2-pyridin-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 91817167
N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 91816053
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide
CID 37487522
3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122275254
3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 91625780
2,2-diphenyl-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]acetamide
CID 91816035
N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52760208
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134006403

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 91816031) is N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc(C(F)(F)F)cc1)NCc1cccnc1-c1ccncc1.
What is the InChIKey of N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MYLNLQYGBYGVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c22-21(23,24)18-6-3-15(4-7-18)5-8-19(28)27-14-17-2-1-11-26-20(17)16-9-12-25-13-10-16/h1-4,6-7,9-13H,5,8,14H2,(H,27,28).
What are the key properties of N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 385.39 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 91816031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).