N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide

C22H25FN4O3 — CID 91914043

IUPACN-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1
InChIInChI=1S/C22H25FN4O3/c23-18-8-2-3-9-19(18)25-22(29)27-14-10-16(15-27)30-20-17(7-6-11-24-20)21(28)26-12-4-1-5-13-26/h2-3,6-9,11,16H,1,4-5,10,12-15H2,(H,25,29)
InChIKeyQBZKIBTUEAOBLL-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.53
Rot. Bonds4

About N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide

N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide (PubChem CID 91914043) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
PubChem CID91914043
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC NameN-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1
InChIInChI=1S/C22H25FN4O3/c23-18-8-2-3-9-19(18)25-22(29)27-14-10-16(15-27)30-20-17(7-6-11-24-20)21(28)26-12-4-1-5-13-26/h2-3,6-9,11,16H,1,4-5,10,12-15H2,(H,25,29)
InChIKeyQBZKIBTUEAOBLL-UHFFFAOYSA-N
XLogP3.53
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913980
N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 91914058
(3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 99739432
N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257527
[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone
CID 91904267
3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide
CID 91904308
N-(2-fluorophenyl)-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638455
(4-ethoxyphenyl)-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91913913
3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 163353441
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243263
3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one
CID 91904306
4-[1-[(2-fluorophenyl)carbamoyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257011

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide (CID 91914043) is N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide is O=C(Nc1ccccc1F)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1.
What is the InChIKey of N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
The InChIKey is QBZKIBTUEAOBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c23-18-8-2-3-9-19(18)25-22(29)27-14-10-16(15-27)30-20-17(7-6-11-24-20)21(28)26-12-4-1-5-13-26/h2-3,6-9,11,16H,1,4-5,10,12-15H2,(H,25,29).
What are the key properties of N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91914043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).