(3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide

C19H22FN3O2 — CID 154814596

IUPAC(3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)cc1F
InChIInChI=1S/C19H22FN3O2/c1-13-11-23(18-5-3-4-8-21-18)12-15(13)19(24)22-10-14-6-7-17(25-2)16(20)9-14/h3-9,13,15H,10-12H2,1-2H3,(H,22,24)/t13-,15-/m1/s1
InChIKeyTWNBAAIACUFWGQ-UKRRQHHQSA-N
MW343.40 g/mol
LogP2.62
Rot. Bonds5

About (3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide

(3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide (PubChem CID 154814596) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
PubChem CID154814596
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name(3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)cc1F
InChIInChI=1S/C19H22FN3O2/c1-13-11-23(18-5-3-4-8-21-18)12-15(13)19(24)22-10-14-6-7-17(25-2)16(20)9-14/h3-9,13,15H,10-12H2,1-2H3,(H,22,24)/t13-,15-/m1/s1
InChIKeyTWNBAAIACUFWGQ-UKRRQHHQSA-N
XLogP2.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-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

2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975161
(3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128977916
(3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 167792405
N-[(3,4-dimethoxyphenyl)methyl]-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108949886
(3R,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120925219
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 82133842
(2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide
CID 128974294
(3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 136581855
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621475
(3S,4S)-N-[2-(dimethylamino)-3-pyridinyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 154798977
(2S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125150529

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide (CID 154814596) is (3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide is COc1ccc(CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)cc1F.
What is the InChIKey of (3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is TWNBAAIACUFWGQ-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13-11-23(18-5-3-4-8-21-18)12-15(13)19(24)22-10-14-6-7-17(25-2)16(20)9-14/h3-9,13,15H,10-12H2,1-2H3,(H,22,24)/t13-,15-/m1/s1.
What are the key properties of (3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide?
(3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 154814596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).