[4-[4-(aminomethyl)-2-pyridinyl]phenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone

C18H18F3N3O2 — CID 122516160

IUPAC[4-[4-(aminomethyl)-2-pyridinyl]phenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESNCc1ccnc(-c2ccc(C(=O)N3CCC(O)(C(F)(F)F)C3)cc2)c1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)17(26)6-8-24(11-17)16(25)14-3-1-13(2-4-14)15-9-12(10-22)5-7-23-15/h1-5,7,9,26H,6,8,10-11,22H2
InChIKeyYIDXXRWJPJLIKX-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.35
Rot. Bonds3

About [4-[4-(aminomethyl)-2-pyridinyl]phenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone

[4-[4-(aminomethyl)-2-pyridinyl]phenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 122516160) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is [4-[4-(aminomethyl)-2-pyridinyl]phenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[4-(aminomethyl)-2-pyridinyl]phenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID122516160
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name[4-[4-(aminomethyl)-2-pyridinyl]phenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESNCc1ccnc(-c2ccc(C(=O)N3CCC(O)(C(F)(F)F)C3)cc2)c1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)17(26)6-8-24(11-17)16(25)14-3-1-13(2-4-14)15-9-12(10-22)5-7-23-15/h1-5,7,9,26H,6,8,10-11,22H2
InChIKeyYIDXXRWJPJLIKX-UHFFFAOYSA-N
XLogP2.35
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[4-(aminomethyl)-2-pyridinyl]phenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone 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

VU0424465
CID 53384864
N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide
CID 145865295
4-Methyl-N-[2-pyridin-3-yl-1-(pyrrolidine-1-carbonyl)-vinyl]-benzamide
CID 5764752
4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}-N-(4-pyridinylmethyl)benzenecarboxamide
CID 1486035
4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}-N-(2-pyridinylmethyl)benzenecarboxamide
CID 1486040
N-(4-(trifluoromethyl)phenyl)-4-(3-(trifluoromethyl)pyridin-2-yl)benzamide
CID 11661499
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)picolinamide
CID 45268222
N-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide
CID 59673077
N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)pyridin-2-yl]methyl]benzamide
CID 71502347
2-(4-cyanophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
CID 71667380
[4-[5-Amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 71712053
5-[2-(3-fluorophenyl)ethynyl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 72711272

Frequently Asked Questions

What is the IUPAC name of [4-[4-(aminomethyl)-2-pyridinyl]phenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-[4-(aminomethyl)-2-pyridinyl]phenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 122516160) is [4-[4-(aminomethyl)-2-pyridinyl]phenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-[4-(aminomethyl)-2-pyridinyl]phenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-[4-(aminomethyl)-2-pyridinyl]phenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is NCc1ccnc(-c2ccc(C(=O)N3CCC(O)(C(F)(F)F)C3)cc2)c1.
What is the InChIKey of [4-[4-(aminomethyl)-2-pyridinyl]phenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is YIDXXRWJPJLIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)17(26)6-8-24(11-17)16(25)14-3-1-13(2-4-14)15-9-12(10-22)5-7-23-15/h1-5,7,9,26H,6,8,10-11,22H2.
What are the key properties of [4-[4-(aminomethyl)-2-pyridinyl]phenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
[4-[4-(aminomethyl)-2-pyridinyl]phenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 365.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(aminomethyl)-2-pyridinyl]phenyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 122516160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).