3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide

C19H21F2N3O — CID 110255864

IUPAC3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide
SMILESNC(=O)CCc1cccc(C2CCCN2Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C19H21F2N3O/c20-14-9-13(10-15(21)11-14)12-24-8-2-5-18(24)17-4-1-3-16(23-17)6-7-19(22)25/h1,3-4,9-11,18H,2,5-8,12H2,(H2,22,25)
InChIKeyWRXAGHCGKGMAKO-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.11
Rot. Bonds6

About 3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide

3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide (PubChem CID 110255864) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide
PubChem CID110255864
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide
SMILESNC(=O)CCc1cccc(C2CCCN2Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C19H21F2N3O/c20-14-9-13(10-15(21)11-14)12-24-8-2-5-18(24)17-4-1-3-16(23-17)6-7-19(22)25/h1,3-4,9-11,18H,2,5-8,12H2,(H2,22,25)
InChIKeyWRXAGHCGKGMAKO-UHFFFAOYSA-N
XLogP3.11
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 110255865
3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 110255862
3-[6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 95820731
3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 110258268
N-[[6-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124996366
3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 95827389
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 110103097
N-[[6-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125007878
3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid
CID 132764003
N-[4-[[2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 110254674
3-[6-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-methylpropanamide
CID 110269727
N-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107831

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide?
The IUPAC name of 3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide (CID 110255864) is 3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for 3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide?
The canonical SMILES for 3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide is NC(=O)CCc1cccc(C2CCCN2Cc2cc(F)cc(F)c2)n1.
What is the InChIKey of 3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide?
The InChIKey is WRXAGHCGKGMAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c20-14-9-13(10-15(21)11-14)12-24-8-2-5-18(24)17-4-1-3-16(23-17)6-7-19(22)25/h1,3-4,9-11,18H,2,5-8,12H2,(H2,22,25).
What are the key properties of 3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide?
3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide has a molecular weight of 345.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 110255864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).