6-(1,3-oxazolidin-3-yl)-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide

C20H16F5N5O2 — CID 134267733

IUPAC6-(1,3-oxazolidin-3-yl)-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cnc(N2CCOC2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C20H16F5N5O2/c21-19(22,20(23,24)25)13-1-3-14(4-2-13)28-18(31)12-9-15(16-5-6-27-29-16)17(26-10-12)30-7-8-32-11-30/h1-6,9-10H,7-8,11H2,(H,27,29)(H,28,31)
InChIKeyBTVRNDARXPAZFW-UHFFFAOYSA-N
MW453.37 g/mol
LogP4.17
Rot. Bonds5

About 6-(1,3-oxazolidin-3-yl)-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide

6-(1,3-oxazolidin-3-yl)-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide (PubChem CID 134267733) has the molecular formula C20H16F5N5O2 and a molecular weight of 453.37 g/mol. Its IUPAC name is 6-(1,3-oxazolidin-3-yl)-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,3-oxazolidin-3-yl)-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
PubChem CID134267733
Molecular FormulaC20H16F5N5O2
Molecular Weight453.37 g/mol
Exact Mass453.12
IUPAC Name6-(1,3-oxazolidin-3-yl)-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cnc(N2CCOC2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C20H16F5N5O2/c21-19(22,20(23,24)25)13-1-3-14(4-2-13)28-18(31)12-9-15(16-5-6-27-29-16)17(26-10-12)30-7-8-32-11-30/h1-6,9-10H,7-8,11H2,(H,27,29)(H,28,31)
InChIKeyBTVRNDARXPAZFW-UHFFFAOYSA-N
XLogP4.17
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 123812201
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 133082086
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 118044927
6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxylic acid
CID 177169705
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[4-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 172610386
5-(4-fluoro-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 123827734
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 123610230
N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 53164816
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(3-methylsulfonylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 166662280
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl-methylamino]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 168871671
6-[(3R)-3-[2-[2-[2-[2-[[(1R,2S,4S,5S,6R)-5,6-dihydroxybicyclo[2.2.1]heptane-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118233398

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-oxazolidin-3-yl)-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(1,3-oxazolidin-3-yl)-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide (CID 134267733) is 6-(1,3-oxazolidin-3-yl)-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,3-oxazolidin-3-yl)-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(1,3-oxazolidin-3-yl)-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide is O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cnc(N2CCOC2)c(-c2ccn[nH]2)c1.
What is the InChIKey of 6-(1,3-oxazolidin-3-yl)-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
The InChIKey is BTVRNDARXPAZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F5N5O2/c21-19(22,20(23,24)25)13-1-3-14(4-2-13)28-18(31)12-9-15(16-5-6-27-29-16)17(26-10-12)30-7-8-32-11-30/h1-6,9-10H,7-8,11H2,(H,27,29)(H,28,31).
What are the key properties of 6-(1,3-oxazolidin-3-yl)-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
6-(1,3-oxazolidin-3-yl)-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide has a molecular weight of 453.37 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-oxazolidin-3-yl)-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 134267733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).