3-fluoro-N-[4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-4-methoxybenzamide

C19H22FN3O3 — CID 171142607

IUPAC3-fluoro-N-[4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CN(Cc3ccccn3)CC2CO)cc1F
InChIInChI=1S/C19H22FN3O3/c1-26-18-6-5-13(8-16(18)20)19(25)22-17-11-23(9-14(17)12-24)10-15-4-2-3-7-21-15/h2-8,14,17,24H,9-12H2,1H3,(H,22,25)
InChIKeyGKZGWJYNWXCREH-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.45
Rot. Bonds6

About 3-fluoro-N-[4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-4-methoxybenzamide

3-fluoro-N-[4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-4-methoxybenzamide (PubChem CID 171142607) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 3-fluoro-N-[4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-4-methoxybenzamide
PubChem CID171142607
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name3-fluoro-N-[4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CN(Cc3ccccn3)CC2CO)cc1F
InChIInChI=1S/C19H22FN3O3/c1-26-18-6-5-13(8-16(18)20)19(25)22-17-11-23(9-14(17)12-24)10-15-4-2-3-7-21-15/h2-8,14,17,24H,9-12H2,1H3,(H,22,25)
InChIKeyGKZGWJYNWXCREH-UHFFFAOYSA-N
XLogP1.45
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811
N-[1-[(2,6-difluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide
CID 171142642
4-fluoro-N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-3-methoxybenzamide
CID 99776479
N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 106366906
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide
CID 128972203
[(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
CID 173262646
N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2-methoxybenzamide
CID 110202517
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-fluoro-4-methoxybenzamide
CID 25496621
3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide
CID 111697126

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-4-methoxybenzamide?
The IUPAC name of 3-fluoro-N-[4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-4-methoxybenzamide (CID 171142607) is 3-fluoro-N-[4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for 3-fluoro-N-[4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-4-methoxybenzamide?
The canonical SMILES for 3-fluoro-N-[4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC2CN(Cc3ccccn3)CC2CO)cc1F.
What is the InChIKey of 3-fluoro-N-[4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-4-methoxybenzamide?
The InChIKey is GKZGWJYNWXCREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-26-18-6-5-13(8-16(18)20)19(25)22-17-11-23(9-14(17)12-24)10-15-4-2-3-7-21-15/h2-8,14,17,24H,9-12H2,1H3,(H,22,25).
What are the key properties of 3-fluoro-N-[4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-4-methoxybenzamide?
3-fluoro-N-[4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-4-methoxybenzamide has a molecular weight of 359.40 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 171142607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).