1-(2-fluorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-3-carboxamide

C24H24FN3O2 — CID 139003185

IUPAC1-(2-fluorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)C1CCN(c2ccccc2F)C1
InChIInChI=1S/C24H24FN3O2/c25-21-8-4-5-9-22(21)28-13-11-20(16-28)24(29)27-15-19-10-12-26-23(14-19)30-17-18-6-2-1-3-7-18/h1-10,12,14,20H,11,13,15-17H2,(H,27,29)
InChIKeyULKQPJRDNWAEJF-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.94
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-3-carboxamide

1-(2-fluorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 139003185) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
PubChem CID139003185
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name1-(2-fluorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)C1CCN(c2ccccc2F)C1
InChIInChI=1S/C24H24FN3O2/c25-21-8-4-5-9-22(21)28-13-11-20(16-28)24(29)27-15-19-10-12-26-23(14-19)30-17-18-6-2-1-3-7-18/h1-10,12,14,20H,11,13,15-17H2,(H,27,29)
InChIKeyULKQPJRDNWAEJF-UHFFFAOYSA-N
XLogP3.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
N-[(2-phenylmethoxy-4-pyridinyl)methyl]furan-3-carboxamide
CID 46475605
N'-methyl-3-(phenylmethoxymethyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 111526272
1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide
CID 55689268
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
CID 46469686
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
(3R)-N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95826652
1-(4-phenylmethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 122048489
3-[[[1-(2-fluorophenyl)pyrrolidin-3-yl]amino]methyl]benzoic acid
CID 122034683
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 47057026
1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
CID 87004224

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-3-carboxamide (CID 139003185) is 1-(2-fluorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-3-carboxamide is O=C(NCc1ccnc(OCc2ccccc2)c1)C1CCN(c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is ULKQPJRDNWAEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-21-8-4-5-9-22(21)28-13-11-20(16-28)24(29)27-15-19-10-12-26-23(14-19)30-17-18-6-2-1-3-7-18/h1-10,12,14,20H,11,13,15-17H2,(H,27,29).
What are the key properties of 1-(2-fluorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
1-(2-fluorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 139003185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).