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

C26H24N6O — CID 92575064

IUPAC[(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1
InChIInChI=1S/C26H24N6O/c33-26(21-12-4-6-15-28-21)32-16-7-5-13-23(32)25-30-22(19-9-8-14-27-18-19)17-24(31-25)29-20-10-2-1-3-11-20/h1-4,6,8-12,14-15,17-18,23H,5,7,13,16H2,(H,29,30,31)/t23-/m0/s1
InChIKeyFYIGPDCGMFKXNI-QHCPKHFHSA-N
MW436.52 g/mol
LogP5.04
Rot. Bonds5

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

[(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 92575064) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is [(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID92575064
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name[(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1
InChIInChI=1S/C26H24N6O/c33-26(21-12-4-6-15-28-21)32-16-7-5-13-23(32)25-30-22(19-9-8-14-27-18-19)17-24(31-25)29-20-10-2-1-3-11-20/h1-4,6,8-12,14-15,17-18,23H,5,7,13,16H2,(H,29,30,31)/t23-/m0/s1
InChIKeyFYIGPDCGMFKXNI-QHCPKHFHSA-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

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

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Related Compounds

[(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 92575211
[2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110240191
[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 110240145
2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine
CID 110240122
1-[(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 92553004
[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(1R)-cyclohex-3-en-1-yl]methanone
CID 92575173
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
[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone
CID 110240107
[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 92575229
(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

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 92575064) is [(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1.
What is the InChIKey of [(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is FYIGPDCGMFKXNI-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H24N6O/c33-26(21-12-4-6-15-28-21)32-16-7-5-13-23(32)25-30-22(19-9-8-14-27-18-19)17-24(31-25)29-20-10-2-1-3-11-20/h1-4,6,8-12,14-15,17-18,23H,5,7,13,16H2,(H,29,30,31)/t23-/m0/s1.
What are the key properties of [(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
[(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-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 [(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 92575064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).