2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide

C22H16FN5O — CID 118064170

IUPAC2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2cccc(F)n2)c1
InChIInChI=1S/C22H16FN5O/c23-19-7-4-8-20(27-19)28-21-13-16(9-12-25-21)22(29)26-18-14-24-11-10-17(18)15-5-2-1-3-6-15/h1-14H,(H,26,29)(H,25,27,28)
InChIKeyCEDKYLJOMBVJPR-UHFFFAOYSA-N
MW385.40 g/mol
LogP4.67
Rot. Bonds5

About 2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide

2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 118064170) has the molecular formula C22H16FN5O and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
PubChem CID118064170
Molecular FormulaC22H16FN5O
Molecular Weight385.40 g/mol
Exact Mass385.13
IUPAC Name2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2cccc(F)n2)c1
InChIInChI=1S/C22H16FN5O/c23-19-7-4-8-20(27-19)28-21-13-16(9-12-25-21)22(29)26-18-14-24-11-10-17(18)15-5-2-1-3-6-15/h1-14H,(H,26,29)(H,25,27,28)
InChIKeyCEDKYLJOMBVJPR-UHFFFAOYSA-N
XLogP4.67
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118063909
2-[(5-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064436
2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 122583837
2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064729
2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide
CID 141452842
N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064030
N-(4-pyridin-2-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118072352
2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134556611
N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide
CID 62180377
2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide
CID 118072376
methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate
CID 118064236
N-[4-(benzenesulfinyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064155

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide (CID 118064170) is 2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide is O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2cccc(F)n2)c1.
What is the InChIKey of 2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is CEDKYLJOMBVJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O/c23-19-7-4-8-20(27-19)28-21-13-16(9-12-25-21)22(29)26-18-14-24-11-10-17(18)15-5-2-1-3-6-15/h1-14H,(H,26,29)(H,25,27,28).
What are the key properties of 2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide?
2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 118064170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).