N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide

C21H20FN5O — CID 67062284

IUPACN-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccnc(Nc3ccc(F)cc3)c2)ccn1)C1CCNC1
InChIInChI=1S/C21H20FN5O/c22-17-1-3-18(4-2-17)26-19-11-14(6-9-24-19)15-7-10-25-20(12-15)27-21(28)16-5-8-23-13-16/h1-4,6-7,9-12,16,23H,5,8,13H2,(H,24,26)(H,25,27,28)
InChIKeyPWKGNZSLMHDASY-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.57
Rot. Bonds5

About N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide

N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 67062284) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID67062284
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC NameN-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccnc(Nc3ccc(F)cc3)c2)ccn1)C1CCNC1
InChIInChI=1S/C21H20FN5O/c22-17-1-3-18(4-2-17)26-19-11-14(6-9-24-19)15-7-10-25-20(12-15)27-21(28)16-5-8-23-13-16/h1-4,6-7,9-12,16,23H,5,8,13H2,(H,24,26)(H,25,27,28)
InChIKeyPWKGNZSLMHDASY-UHFFFAOYSA-N
XLogP3.57
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea
CID 67062221
N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 118607032
(3R)-N-[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 90412986
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
N-[4-[3-(2-hydroxyacetyl)quinolin-6-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 58525613
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113021257
(2R)-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide
CID 142318580
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708015
N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide
CID 107365750

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide (CID 67062284) is N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide is O=C(Nc1cc(-c2ccnc(Nc3ccc(F)cc3)c2)ccn1)C1CCNC1.
What is the InChIKey of N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is PWKGNZSLMHDASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-17-1-3-18(4-2-17)26-19-11-14(6-9-24-19)15-7-10-25-20(12-15)27-21(28)16-5-8-23-13-16/h1-4,6-7,9-12,16,23H,5,8,13H2,(H,24,26)(H,25,27,28).
What are the key properties of N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide?
N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 67062284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).