N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

C22H26FN3O2 — CID 46970686

IUPACN-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESO=C(NCC1(c2ccccc2F)CCOCC1)c1ccnc(N2CCCC2)c1
InChIInChI=1S/C22H26FN3O2/c23-19-6-2-1-5-18(19)22(8-13-28-14-9-22)16-25-21(27)17-7-10-24-20(15-17)26-11-3-4-12-26/h1-2,5-7,10,15H,3-4,8-9,11-14,16H2,(H,25,27)
InChIKeyAIZLTSCEYYFNAS-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.30
Rot. Bonds5

About N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 46970686) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
PubChem CID46970686
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESO=C(NCC1(c2ccccc2F)CCOCC1)c1ccnc(N2CCCC2)c1
InChIInChI=1S/C22H26FN3O2/c23-19-6-2-1-5-18(19)22(8-13-28-14-9-22)16-25-21(27)17-7-10-24-20(15-17)26-11-3-4-12-26/h1-2,5-7,10,15H,3-4,8-9,11-14,16H2,(H,25,27)
InChIKeyAIZLTSCEYYFNAS-UHFFFAOYSA-N
XLogP3.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (CID 46970686) is N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is O=C(NCC1(c2ccccc2F)CCOCC1)c1ccnc(N2CCCC2)c1.
What is the InChIKey of N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The InChIKey is AIZLTSCEYYFNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-19-6-2-1-5-18(19)22(8-13-28-14-9-22)16-25-21(27)17-7-10-24-20(15-17)26-11-3-4-12-26/h1-2,5-7,10,15H,3-4,8-9,11-14,16H2,(H,25,27).
What are the key properties of N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 46970686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).