[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone

C26H24N6O — CID 110240084

IUPAC[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1
InChIInChI=1S/C26H24N6O/c33-26(20-6-4-12-28-17-20)32-15-5-7-21(18-32)25-30-23(19-10-13-27-14-11-19)16-24(31-25)29-22-8-2-1-3-9-22/h1-4,6,8-14,16-17,21H,5,7,15,18H2,(H,29,30,31)
InChIKeyXLGYZFZUGONWIP-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.70
Rot. Bonds5

About [3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone

[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 110240084) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is [3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID110240084
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1
InChIInChI=1S/C26H24N6O/c33-26(20-6-4-12-28-17-20)32-15-5-7-21(18-32)25-30-23(19-10-13-27-14-11-19)16-24(31-25)29-22-8-2-1-3-9-22/h1-4,6,8-14,16-17,21H,5,7,15,18H2,(H,29,30,31)
InChIKeyXLGYZFZUGONWIP-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

[3-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110240239
[(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-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone
CID 110240107
[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 110240145
[4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 92575277
[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92575112
[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 92575229
[(3R)-3-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 92568854
[(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92575246
[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110239936
1-[3-[4-[(5-methyl-3-pyridinyl)amino]-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 167370492

Frequently Asked Questions

What is the IUPAC name of [3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone (CID 110240084) is [3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1.
What is the InChIKey of [3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is XLGYZFZUGONWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c33-26(20-6-4-12-28-17-20)32-15-5-7-21(18-32)25-30-23(19-10-13-27-14-11-19)16-24(31-25)29-22-8-2-1-3-9-22/h1-4,6,8-14,16-17,21H,5,7,15,18H2,(H,29,30,31).
What are the key properties of [3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-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 [3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 110240084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).