3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide

C19H22FN3O2 — CID 95194083

IUPAC3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCOc1c(F)cccc1C(=O)NC[C@@H]1CCN(Cc2ccccn2)C1
InChIInChI=1S/C19H22FN3O2/c1-25-18-16(6-4-7-17(18)20)19(24)22-11-14-8-10-23(12-14)13-15-5-2-3-9-21-15/h2-7,9,14H,8,10-13H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyBSZJULHGUALSBG-AWEZNQCLSA-N
MW343.40 g/mol
LogP2.48
Rot. Bonds6

About 3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide

3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 95194083) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID95194083
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCOc1c(F)cccc1C(=O)NC[C@@H]1CCN(Cc2ccccn2)C1
InChIInChI=1S/C19H22FN3O2/c1-25-18-16(6-4-7-17(18)20)19(24)22-11-14-8-10-23(12-14)13-15-5-2-3-9-21-15/h2-7,9,14H,8,10-13H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyBSZJULHGUALSBG-AWEZNQCLSA-N
XLogP2.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide 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

3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896001
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide
CID 45212677
5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 56711461
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide
CID 56709536
2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896062
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
1-benzyl-3-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 95201612
2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide
CID 95227434
4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896060

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide (CID 95194083) is 3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide is COc1c(F)cccc1C(=O)NC[C@@H]1CCN(Cc2ccccn2)C1.
What is the InChIKey of 3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is BSZJULHGUALSBG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-25-18-16(6-4-7-17(18)20)19(24)22-11-14-8-10-23(12-14)13-15-5-2-3-9-21-15/h2-7,9,14H,8,10-13H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of 3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide?
3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 343.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95194083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).