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

C20H19F2N5O — CID 119045992

IUPAC3-(2,5-difluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccnc1-n1cccn1)N1CCCC(c2cc(F)ccc2F)C1
InChIInChI=1S/C20H19F2N5O/c21-15-6-7-17(22)16(12-15)14-4-2-10-26(13-14)20(28)25-18-5-1-8-23-19(18)27-11-3-9-24-27/h1,3,5-9,11-12,14H,2,4,10,13H2,(H,25,28)
InChIKeyRSPKGIULPOVRII-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.96
Rot. Bonds3

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

3-(2,5-difluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 119045992) has the molecular formula C20H19F2N5O and a molecular weight of 383.40 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide
PubChem CID119045992
Molecular FormulaC20H19F2N5O
Molecular Weight383.40 g/mol
Exact Mass383.16
IUPAC Name3-(2,5-difluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccnc1-n1cccn1)N1CCCC(c2cc(F)ccc2F)C1
InChIInChI=1S/C20H19F2N5O/c21-15-6-7-17(22)16(12-15)14-4-2-10-26(13-14)20(28)25-18-5-1-8-23-19(18)27-11-3-9-24-27/h1,3,5-9,11-12,14H,2,4,10,13H2,(H,25,28)
InChIKeyRSPKGIULPOVRII-UHFFFAOYSA-N
XLogP3.96
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 119045993
1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 43063142
4-N-pyrazin-2-yl-1-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1,4-dicarboxamide
CID 47050033
(3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111474707
2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30884817
3-(2,5-difluorophenyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-1-carboxamide
CID 119046289
(3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide
CID 124736316
2-[3-[(3S)-1-[(2,5-difluorophenyl)carbamoyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126438313
2-[3-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119066597
3-amino-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopentane-1-carboxamide
CID 66008743
4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 47041232
5-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46375785

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide (CID 119045992) is 3-(2,5-difluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide is O=C(Nc1cccnc1-n1cccn1)N1CCCC(c2cc(F)ccc2F)C1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide?
The InChIKey is RSPKGIULPOVRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O/c21-15-6-7-17(22)16(12-15)14-4-2-10-26(13-14)20(28)25-18-5-1-8-23-19(18)27-11-3-9-24-27/h1,3,5-9,11-12,14H,2,4,10,13H2,(H,25,28).
What are the key properties of 3-(2,5-difluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide?
3-(2,5-difluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 119045992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).