2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide

C18H20FN3O2 — CID 86786371

IUPAC2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(O)cc2F)c(N2CCCC2)n1
InChIInChI=1S/C18H20FN3O2/c1-12-4-5-13(17(21-12)22-8-2-3-9-22)11-20-18(24)15-7-6-14(23)10-16(15)19/h4-7,10,23H,2-3,8-9,11H2,1H3,(H,20,24)
InChIKeyMMZICKGGHFEPGW-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.76
Rot. Bonds4

About 2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide

2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 86786371) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
PubChem CID86786371
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(O)cc2F)c(N2CCCC2)n1
InChIInChI=1S/C18H20FN3O2/c1-12-4-5-13(17(21-12)22-8-2-3-9-22)11-20-18(24)15-7-6-14(23)10-16(15)19/h4-7,10,23H,2-3,8-9,11H2,1H3,(H,20,24)
InChIKeyMMZICKGGHFEPGW-UHFFFAOYSA-N
XLogP2.76
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 110028330
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-hydroxybenzamide
CID 104930006
N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 103941364
1-(2-hydroxypropyl)-1-methyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 84599317
1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 86786119
1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 100661667
1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea
CID 110028376
1-(3-ethyl-2-hydroxypentyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110028347
3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 110028358
(2R)-2-methyl-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 97347955
2-fluoro-4-hydroxy-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107675567
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110028346

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide (CID 86786371) is 2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(O)cc2F)c(N2CCCC2)n1.
What is the InChIKey of 2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is MMZICKGGHFEPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-4-5-13(17(21-12)22-8-2-3-9-22)11-20-18(24)15-7-6-14(23)10-16(15)19/h4-7,10,23H,2-3,8-9,11H2,1H3,(H,20,24).
What are the key properties of 2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 329.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 86786371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).