(2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide

C16H16F3N3O3 — CID 37309361

IUPAC(2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C16H16F3N3O3/c1-10(21-12-5-8-14(24-2)20-9-12)15(23)22-11-3-6-13(7-4-11)25-16(17,18)19/h3-10,21H,1-2H3,(H,22,23)/t10-/m0/s1
InChIKeyFOBYHECDILFXHZ-JTQLQIEISA-N
MW355.32 g/mol
LogP3.43
Rot. Bonds6

About (2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide

(2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 37309361) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is (2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID37309361
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name(2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C16H16F3N3O3/c1-10(21-12-5-8-14(24-2)20-9-12)15(23)22-11-3-6-13(7-4-11)25-16(17,18)19/h3-10,21H,1-2H3,(H,22,23)/t10-/m0/s1
InChIKeyFOBYHECDILFXHZ-JTQLQIEISA-N
XLogP3.43
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 45100106
(2R)-N-(3,5-dimethoxyphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25345790
2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 51113240
1-(2-methoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301480
(2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide
CID 51925783
(2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 41153856
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 40664381
2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55571603
2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide
CID 47023248
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
(2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25343912

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 37309361) is (2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide is COc1ccc(N[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of (2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is FOBYHECDILFXHZ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-10(21-12-5-8-14(24-2)20-9-12)15(23)22-11-3-6-13(7-4-11)25-16(17,18)19/h3-10,21H,1-2H3,(H,22,23)/t10-/m0/s1.
What are the key properties of (2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
(2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 355.32 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 37309361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).