N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide

C22H20F2N4O — CID 109200605

IUPACN-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C22H20F2N4O/c23-15-3-9-20(19(24)13-15)27-22(29)21-10-6-17(14-25-21)26-16-4-7-18(8-5-16)28-11-1-2-12-28/h3-10,13-14,26H,1-2,11-12H2,(H,27,29)
InChIKeyXBIVQZGFMZLEGN-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.96
Rot. Bonds5

About N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide

N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide (PubChem CID 109200605) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
PubChem CID109200605
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C22H20F2N4O/c23-15-3-9-20(19(24)13-15)27-22(29)21-10-6-17(14-25-21)26-16-4-7-18(8-5-16)28-11-1-2-12-28/h3-10,13-14,26H,1-2,11-12H2,(H,27,29)
InChIKeyXBIVQZGFMZLEGN-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

N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109198850
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
5-anilino-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109197129
N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199103
N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987612
5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109200601
5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992
N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109200752
5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179591
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
N-(2,4-difluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185897
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109198012

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide (CID 109200605) is N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc(Nc2ccc(N3CCCC3)cc2)cn1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The InChIKey is XBIVQZGFMZLEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c23-15-3-9-20(19(24)13-15)27-22(29)21-10-6-17(14-25-21)26-16-4-7-18(8-5-16)28-11-1-2-12-28/h3-10,13-14,26H,1-2,11-12H2,(H,27,29).
What are the key properties of N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)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 N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109200605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).