5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide

C22H20F2N4O — CID 109200601

IUPAC5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C22H20F2N4O/c23-18-4-3-5-19(24)21(18)26-16-8-11-20(25-14-16)22(29)27-15-6-9-17(10-7-15)28-12-1-2-13-28/h3-11,14,26H,1-2,12-13H2,(H,27,29)
InChIKeyGGQQGSBJXLHRBG-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.96
Rot. Bonds5

About 5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide

5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (PubChem CID 109200601) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
PubChem CID109200601
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C22H20F2N4O/c23-18-4-3-5-19(24)21(18)26-16-8-11-20(25-14-16)22(29)27-15-6-9-17(10-7-15)28-12-1-2-13-28/h3-11,14,26H,1-2,12-13H2,(H,27,29)
InChIKeyGGQQGSBJXLHRBG-UHFFFAOYSA-N
XLogP4.96
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109198850
[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182712
N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109200605
[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193428
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
5-(2,6-difluoroanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109200665
N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199103
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109200617
5-(2,6-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109200966
5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide
CID 109196891
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (CID 109200601) is 5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Nc2c(F)cccc2F)cn1.
What is the InChIKey of 5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The InChIKey is GGQQGSBJXLHRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c23-18-4-3-5-19(24)21(18)26-16-8-11-20(25-14-16)22(29)27-15-6-9-17(10-7-15)28-12-1-2-13-28/h3-11,14,26H,1-2,12-13H2,(H,27,29).
What are the key properties of 5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109200601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).