3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide

C21H24F2N4O — CID 119045993

IUPAC3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccnc1N1CCCC1)N1CCCC(c2cc(F)ccc2F)C1
InChIInChI=1S/C21H24F2N4O/c22-16-7-8-18(23)17(13-16)15-5-4-12-27(14-15)21(28)25-19-6-3-9-24-20(19)26-10-1-2-11-26/h3,6-9,13,15H,1-2,4-5,10-12,14H2,(H,25,28)
InChIKeyLAYCIAFNWCSNOI-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.37
Rot. Bonds3

About 3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide

3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 119045993) has the molecular formula C21H24F2N4O and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
PubChem CID119045993
Molecular FormulaC21H24F2N4O
Molecular Weight386.45 g/mol
Exact Mass386.19
IUPAC Name3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccnc1N1CCCC1)N1CCCC(c2cc(F)ccc2F)C1
InChIInChI=1S/C21H24F2N4O/c22-16-7-8-18(23)17(13-16)15-5-4-12-27(14-15)21(28)25-19-6-3-9-24-20(19)26-10-1-2-11-26/h3,6-9,13,15H,1-2,4-5,10-12,14H2,(H,25,28)
InChIKeyLAYCIAFNWCSNOI-UHFFFAOYSA-N
XLogP4.37
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-difluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 119045992
(3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide
CID 95580121
4-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 47041032
3-(2,5-difluorophenyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-1-carboxamide
CID 119046289
1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 55979557
2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 84576375
(3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide
CID 124736316
(2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 52510173
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
N-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide
CID 50844053
5-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46375785
(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 102984073

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide (CID 119045993) is 3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide is O=C(Nc1cccnc1N1CCCC1)N1CCCC(c2cc(F)ccc2F)C1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide?
The InChIKey is LAYCIAFNWCSNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O/c22-16-7-8-18(23)17(13-16)15-5-4-12-27(14-15)21(28)25-19-6-3-9-24-20(19)26-10-1-2-11-26/h3,6-9,13,15H,1-2,4-5,10-12,14H2,(H,25,28).
What are the key properties of 3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide?
3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 119045993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).