3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide

C16H16F3N3O — CID 109023409

IUPAC3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNCc1ccccn1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)13-6-1-2-7-14(13)22-15(23)8-10-20-11-12-5-3-4-9-21-12/h1-7,9,20H,8,10-11H2,(H,22,23)
InChIKeySRCQILUQSMMSEP-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.22
Rot. Bonds6

About 3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide

3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 109023409) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID109023409
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNCc1ccccn1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)13-6-1-2-7-14(13)22-15(23)8-10-20-11-12-5-3-4-9-21-12/h1-7,9,20H,8,10-11H2,(H,22,23)
InChIKeySRCQILUQSMMSEP-UHFFFAOYSA-N
XLogP3.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110696997
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023445
N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023401
N-(2-phenoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023444
3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109021889
N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023379
2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113163489
N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023461
N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023421
3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109031142
N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023392
3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 109023409) is 3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide is O=C(CCNCc1ccccn1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SRCQILUQSMMSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c17-16(18,19)13-6-1-2-7-14(13)22-15(23)8-10-20-11-12-5-3-4-9-21-12/h1-7,9,20H,8,10-11H2,(H,22,23).
What are the key properties of 3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide?
3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 323.32 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109023409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).