N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide

C21H18F3N3O — CID 138674390

IUPACN-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide
SMILESO=C(CCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1)Nc1cccnc1
InChIInChI=1S/C21H18F3N3O/c22-21(23,24)19-11-10-17(13-26-19)16-8-6-15(7-9-16)3-1-5-20(28)27-18-4-2-12-25-14-18/h2,4,6-14H,1,3,5H2,(H,27,28)
InChIKeyGOSAEJKZRDIKCF-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.12
Rot. Bonds6

About N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide

N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide (PubChem CID 138674390) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide.

Molecular Properties

Compound NameN-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide
PubChem CID138674390
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC NameN-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide
SMILESO=C(CCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1)Nc1cccnc1
InChIInChI=1S/C21H18F3N3O/c22-21(23,24)19-11-10-17(13-26-19)16-8-6-15(7-9-16)3-1-5-20(28)27-18-4-2-12-25-14-18/h2,4,6-14H,1,3,5H2,(H,27,28)
InChIKeyGOSAEJKZRDIKCF-UHFFFAOYSA-N
XLogP5.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674351
4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674485
5-(4-bromophenyl)-N-pyridin-3-ylpentanamide
CID 166191110
4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674422
4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674494
4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
CID 82810971
4-[4-(6-methyl-1H-indazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674503
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide
CID 164706505
N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide
CID 51362474
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
3-pyridin-2-yl-N-pyridin-3-ylpropanamide
CID 47468155

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide?
The IUPAC name of N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide (CID 138674390) is N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide.
What is the SMILES notation for N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide?
The canonical SMILES for N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide is O=C(CCCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1)Nc1cccnc1.
What is the InChIKey of N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide?
The InChIKey is GOSAEJKZRDIKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c22-21(23,24)19-11-10-17(13-26-19)16-8-6-15(7-9-16)3-1-5-20(28)27-18-4-2-12-25-14-18/h2,4,6-14H,1,3,5H2,(H,27,28).
What are the key properties of N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide?
N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide has a molecular weight of 385.39 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide is sourced from PubChem (CID 138674390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).