4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-1-N-pyridin-4-ylbenzene-1,4-dicarboxamide

C24H18FN5O2 — CID 171423386

IUPAC4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-1-N-pyridin-4-ylbenzene-1,4-dicarboxamide
SMILESO=C(Nc1ccncc1)c1ccc(C(=O)Nc2ccc(Nc3ccncc3)c(F)c2)cc1
InChIInChI=1S/C24H18FN5O2/c25-21-15-20(5-6-22(21)28-18-7-11-26-12-8-18)30-24(32)17-3-1-16(2-4-17)23(31)29-19-9-13-27-14-10-19/h1-15H,(H,26,28)(H,30,32)(H,27,29,31)
InChIKeyXGMGMGZFJYHCAE-UHFFFAOYSA-N
MW427.44 g/mol
LogP4.86
Rot. Bonds6

About 4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-1-N-pyridin-4-ylbenzene-1,4-dicarboxamide

4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-1-N-pyridin-4-ylbenzene-1,4-dicarboxamide (PubChem CID 171423386) has the molecular formula C24H18FN5O2 and a molecular weight of 427.44 g/mol. Its IUPAC name is 4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-1-N-pyridin-4-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-1-N-pyridin-4-ylbenzene-1,4-dicarboxamide
PubChem CID171423386
Molecular FormulaC24H18FN5O2
Molecular Weight427.44 g/mol
Exact Mass427.14
IUPAC Name4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-1-N-pyridin-4-ylbenzene-1,4-dicarboxamide
SMILESO=C(Nc1ccncc1)c1ccc(C(=O)Nc2ccc(Nc3ccncc3)c(F)c2)cc1
InChIInChI=1S/C24H18FN5O2/c25-21-15-20(5-6-22(21)28-18-7-11-26-12-8-18)30-24(32)17-3-1-16(2-4-17)23(31)29-19-9-13-27-14-10-19/h1-15H,(H,26,28)(H,30,32)(H,27,29,31)
InChIKeyXGMGMGZFJYHCAE-UHFFFAOYSA-N
XLogP4.86
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-1-N-pyridin-4-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-1-N-pyridin-4-ylbenzene-1,4-dicarboxamide (CID 171423386) is 4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-1-N-pyridin-4-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-1-N-pyridin-4-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-1-N-pyridin-4-ylbenzene-1,4-dicarboxamide is O=C(Nc1ccncc1)c1ccc(C(=O)Nc2ccc(Nc3ccncc3)c(F)c2)cc1.
What is the InChIKey of 4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-1-N-pyridin-4-ylbenzene-1,4-dicarboxamide?
The InChIKey is XGMGMGZFJYHCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O2/c25-21-15-20(5-6-22(21)28-18-7-11-26-12-8-18)30-24(32)17-3-1-16(2-4-17)23(31)29-19-9-13-27-14-10-19/h1-15H,(H,26,28)(H,30,32)(H,27,29,31).
What are the key properties of 4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-1-N-pyridin-4-ylbenzene-1,4-dicarboxamide?
4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-1-N-pyridin-4-ylbenzene-1,4-dicarboxamide has a molecular weight of 427.44 g/mol, XLogP of 4.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-1-N-pyridin-4-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 171423386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).