N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide

C23H21F3N4O2 — CID 86964085

IUPACN-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ccccc2OC(F)F)C1)c1cccnc1Nc1cccc(F)c1
InChIInChI=1S/C23H21F3N4O2/c24-15-5-3-6-16(13-15)28-21-18(7-4-11-27-21)22(31)29-17-10-12-30(14-17)19-8-1-2-9-20(19)32-23(25)26/h1-9,11,13,17,23H,10,12,14H2,(H,27,28)(H,29,31)
InChIKeyQPXHXZYWTIXOOX-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.57
Rot. Bonds7

About N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide

N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide (PubChem CID 86964085) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide
PubChem CID86964085
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ccccc2OC(F)F)C1)c1cccnc1Nc1cccc(F)c1
InChIInChI=1S/C23H21F3N4O2/c24-15-5-3-6-16(13-15)28-21-18(7-4-11-27-21)22(31)29-17-10-12-30(14-17)19-8-1-2-9-20(19)32-23(25)26/h1-9,11,13,17,23H,10,12,14H2,(H,27,28)(H,29,31)
InChIKeyQPXHXZYWTIXOOX-UHFFFAOYSA-N
XLogP4.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86963331
N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 124565166
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
CID 56791669
N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
CID 95629122
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575323
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119882938
2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide
CID 47246328
(E)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-(3-methoxyphenyl)prop-2-enamide
CID 86963326
[(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone
CID 124698734
[2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone
CID 86833930
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
CID 86963309
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 91646113

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide (CID 86964085) is N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide is O=C(NC1CCN(c2ccccc2OC(F)F)C1)c1cccnc1Nc1cccc(F)c1.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is QPXHXZYWTIXOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c24-15-5-3-6-16(13-15)28-21-18(7-4-11-27-21)22(31)29-17-10-12-30(14-17)19-8-1-2-9-20(19)32-23(25)26/h1-9,11,13,17,23H,10,12,14H2,(H,27,28)(H,29,31).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide?
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 442.44 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 86964085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).