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

C26H24N6O — CID 110240145

IUPAC[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCCC1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1
InChIInChI=1S/C26H24N6O/c33-26(20-7-6-13-28-18-20)32-16-5-4-10-23(32)25-30-22(19-11-14-27-15-12-19)17-24(31-25)29-21-8-2-1-3-9-21/h1-3,6-9,11-15,17-18,23H,4-5,10,16H2,(H,29,30,31)
InChIKeyHETHBXMXNUJAMI-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.04
Rot. Bonds5

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

[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 110240145) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is [2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID110240145
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCCC1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1
InChIInChI=1S/C26H24N6O/c33-26(20-7-6-13-28-18-20)32-16-5-4-10-23(32)25-30-22(19-11-14-27-15-12-19)17-24(31-25)29-21-8-2-1-3-9-21/h1-3,6-9,11-15,17-18,23H,4-5,10,16H2,(H,29,30,31)
InChIKeyHETHBXMXNUJAMI-UHFFFAOYSA-N
XLogP5.04
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 92575064
[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(1R)-cyclohex-3-en-1-yl]methanone
CID 92575173
[2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110240191
[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 110240084
[(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 92575211
1-[(2S)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 92586514
1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 110240135
(2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 92551197
(2S)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 92551198
(5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 110240225
1-[(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 92553004
2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine
CID 110240122

Frequently Asked Questions

What is the IUPAC name of [2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone (CID 110240145) is [2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCCCC1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1.
What is the InChIKey of [2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is HETHBXMXNUJAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c33-26(20-7-6-13-28-18-20)32-16-5-4-10-23(32)25-30-22(19-11-14-27-15-12-19)17-24(31-25)29-21-8-2-1-3-9-21/h1-3,6-9,11-15,17-18,23H,4-5,10,16H2,(H,29,30,31).
What are the key properties of [2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
[2-(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 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 110240145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).