1-[[6-(4-fluorophenoxy)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C23H23FN4O2 — CID 118348942

IUPAC1-[[6-(4-fluorophenoxy)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(Cc2cccc(Oc3ccc(F)cc3)n2)C1
InChIInChI=1S/C23H23FN4O2/c24-18-7-9-21(10-8-18)30-22-6-3-5-20(27-22)16-28-13-11-17(15-28)23(29)26-14-19-4-1-2-12-25-19/h1-10,12,17H,11,13-16H2,(H,26,29)
InChIKeyCDCFZPBUJRFCLO-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.55
Rot. Bonds7

About 1-[[6-(4-fluorophenoxy)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

1-[[6-(4-fluorophenoxy)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 118348942) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-[[6-(4-fluorophenoxy)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[[6-(4-fluorophenoxy)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID118348942
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name1-[[6-(4-fluorophenoxy)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(Cc2cccc(Oc3ccc(F)cc3)n2)C1
InChIInChI=1S/C23H23FN4O2/c24-18-7-9-21(10-8-18)30-22-6-3-5-20(27-22)16-28-13-11-17(15-28)23(29)26-14-19-4-1-2-12-25-19/h1-10,12,17H,11,13-16H2,(H,26,29)
InChIKeyCDCFZPBUJRFCLO-UHFFFAOYSA-N
XLogP3.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(4-fluorophenoxy)-2-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 146134800
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 43931605
1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3316052
1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2969235
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
1-[(4-chloro-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 100684761
(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95556400
(3R)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7228556
1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26411415
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 118781434
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 90609512
1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 51361852

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(4-fluorophenoxy)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[[6-(4-fluorophenoxy)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 118348942) is 1-[[6-(4-fluorophenoxy)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[[6-(4-fluorophenoxy)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[[6-(4-fluorophenoxy)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1ccccn1)C1CCN(Cc2cccc(Oc3ccc(F)cc3)n2)C1.
What is the InChIKey of 1-[[6-(4-fluorophenoxy)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is CDCFZPBUJRFCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c24-18-7-9-21(10-8-18)30-22-6-3-5-20(27-22)16-28-13-11-17(15-28)23(29)26-14-19-4-1-2-12-25-19/h1-10,12,17H,11,13-16H2,(H,26,29).
What are the key properties of 1-[[6-(4-fluorophenoxy)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
1-[[6-(4-fluorophenoxy)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(4-fluorophenoxy)-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 118348942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).