6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carboxamide

C24H22FN5O2 — CID 56943491

IUPAC6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCCCn2ccnc2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H22FN5O2/c25-18-4-8-21(9-5-18)32-20-6-2-17(3-7-20)22-14-19(15-23(29-22)24(26)31)28-10-1-12-30-13-11-27-16-30/h2-9,11,13-16H,1,10,12H2,(H2,26,31)(H,28,29)
InChIKeyGDGPBXNQERDUIN-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.48
Rot. Bonds9

About 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carboxamide

6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carboxamide (PubChem CID 56943491) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carboxamide
PubChem CID56943491
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCCCn2ccnc2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H22FN5O2/c25-18-4-8-21(9-5-18)32-20-6-2-17(3-7-20)22-14-19(15-23(29-22)24(26)31)28-10-1-12-30-13-11-27-16-30/h2-9,11,13-16H,1,10,12H2,(H2,26,31)(H,28,29)
InChIKeyGDGPBXNQERDUIN-UHFFFAOYSA-N
XLogP4.48
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carboxamide (CID 56943491) is 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carboxamide is NC(=O)c1cc(NCCCn2ccnc2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carboxamide?
The InChIKey is GDGPBXNQERDUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-18-4-8-21(9-5-18)32-20-6-2-17(3-7-20)22-14-19(15-23(29-22)24(26)31)28-10-1-12-30-13-11-27-16-30/h2-9,11,13-16H,1,10,12H2,(H2,26,31)(H,28,29).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carboxamide?
6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 56943491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).