[4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone

C26H24N6O — CID 92575277

IUPAC[4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1
InChIInChI=1S/C26H24N6O/c33-26(21-8-14-28-15-9-21)32-16-10-20(11-17-32)25-30-23(19-6-12-27-13-7-19)18-24(31-25)29-22-4-2-1-3-5-22/h1-9,12-15,18,20H,10-11,16-17H2,(H,29,30,31)
InChIKeyLGMYBFFCQAYCNG-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.70
Rot. Bonds5

About [4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone

[4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 92575277) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is [4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID92575277
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name[4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1
InChIInChI=1S/C26H24N6O/c33-26(21-8-14-28-15-9-21)32-16-10-20(11-17-32)25-30-23(19-6-12-27-13-7-19)18-24(31-25)29-22-4-2-1-3-5-22/h1-9,12-15,18,20H,10-11,16-17H2,(H,29,30,31)
InChIKeyLGMYBFFCQAYCNG-UHFFFAOYSA-N
XLogP4.70
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-[(1S)-cyclohex-3-en-1-yl]methanone
CID 92575268
[(3R)-3-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 92568854
[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 110240084
[(3S)-3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-cyclobutylmethanone
CID 92575090
1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 110240073
[3-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110240239
[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 92575229
[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 110240145
[(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92575246
2-cyclopentyl-1-[(3R)-3-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92568850
1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one
CID 110240231
1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 110240248

Frequently Asked Questions

What is the IUPAC name of [4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone (CID 92575277) is [4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1.
What is the InChIKey of [4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is LGMYBFFCQAYCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c33-26(21-8-14-28-15-9-21)32-16-10-20(11-17-32)25-30-23(19-6-12-27-13-7-19)18-24(31-25)29-22-4-2-1-3-5-22/h1-9,12-15,18,20H,10-11,16-17H2,(H,29,30,31).
What are the key properties of [4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone?
[4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 436.52 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 92575277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).