N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C19H18F3N3O3 — CID 71113070

IUPACN-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)10-28-18-13(11-6-7-11)8-9-14(24-18)17(27)25-15(16(23)26)12-4-2-1-3-5-12/h1-5,8-9,11,15H,6-7,10H2,(H2,23,26)(H,25,27)/t15-/m0/s1
InChIKeyONSVWVNIJRHKCX-HNNXBMFYSA-N
MW393.37 g/mol
LogP2.86
Rot. Bonds7

About N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 71113070) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID71113070
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC NameN-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)10-28-18-13(11-6-7-11)8-9-14(24-18)17(27)25-15(16(23)26)12-4-2-1-3-5-12/h1-5,8-9,11,15H,6-7,10H2,(H2,23,26)(H,25,27)/t15-/m0/s1
InChIKeyONSVWVNIJRHKCX-HNNXBMFYSA-N
XLogP2.86
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide 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

Dibucaine
CID 3025
Dibucaine Hydrochloride
CID 521951
Picolinafen
CID 3294375
Tta-A2
CID 53317097
CP-457920
CID 9831581
4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide
CID 11846461
6-(4-(2-(Benzylamino)ethyl)phenoxy)picolinamide
CID 44434931
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 71698540
6-[4-(4-Fluorophenoxy)phenyl]-N-[2-(1-piperidinyl)ethyl]-2-pyridinecarboxamide
CID 11247128
N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11475352
N-[[2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 16223643
N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridin-2-yl]benzamide
CID 44206579

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 71113070) is N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is NC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)n1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is ONSVWVNIJRHKCX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c20-19(21,22)10-28-18-13(11-6-7-11)8-9-14(24-18)17(27)25-15(16(23)26)12-4-2-1-3-5-12/h1-5,8-9,11,15H,6-7,10H2,(H2,23,26)(H,25,27)/t15-/m0/s1.
What are the key properties of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71113070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).