N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide

C22H28FN3O2 — CID 91184416

IUPACN-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCc1cc(F)ccc1-c1cc(N2CCC(CO)C2)ncc1N(C)C(=O)C(C)C
InChIInChI=1S/C22H28FN3O2/c1-14(2)22(28)25(4)20-11-24-21(26-8-7-16(12-26)13-27)10-19(20)18-6-5-17(23)9-15(18)3/h5-6,9-11,14,16,27H,7-8,12-13H2,1-4H3
InChIKeyGZSCKDMWABRJGJ-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.63
Rot. Bonds5

About N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide

N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide (PubChem CID 91184416) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide
PubChem CID91184416
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCc1cc(F)ccc1-c1cc(N2CCC(CO)C2)ncc1N(C)C(=O)C(C)C
InChIInChI=1S/C22H28FN3O2/c1-14(2)22(28)25(4)20-11-24-21(26-8-7-16(12-26)13-27)10-19(20)18-6-5-17(23)9-15(18)3/h5-6,9-11,14,16,27H,7-8,12-13H2,1-4H3
InChIKeyGZSCKDMWABRJGJ-UHFFFAOYSA-N
XLogP3.63
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide 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-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide
CID 86597702
N-[6-(4-aminopiperidin-1-yl)-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
CID 86597679
N-[4-(4-fluoro-2-formylphenyl)-6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide
CID 91600451
N-[6-[3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
CID 90945841
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylpropanamide;ethane
CID 142926975
2-(3,5-dichlorophenyl)-N-[4-(4-fluoro-2-methylphenyl)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide
CID 67195413
N-[6-[(3R,8aR)-3-(hydroxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide;hydrochloride
CID 86642510
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride
CID 18403358
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-4-oxopyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide
CID 87304884
5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]benzaldehyde
CID 112626066
[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407847
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide
CID 87306136

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide (CID 91184416) is N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide is Cc1cc(F)ccc1-c1cc(N2CCC(CO)C2)ncc1N(C)C(=O)C(C)C.
What is the InChIKey of N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide?
The InChIKey is GZSCKDMWABRJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-14(2)22(28)25(4)20-11-24-21(26-8-7-16(12-26)13-27)10-19(20)18-6-5-17(23)9-15(18)3/h5-6,9-11,14,16,27H,7-8,12-13H2,1-4H3.
What are the key properties of N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide?
N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide has a molecular weight of 385.48 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 91184416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).