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

C25H22N6O — CID 92575211

IUPAC[(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1
InChIInChI=1S/C25H22N6O/c32-25(20-11-4-5-14-27-20)31-15-7-12-22(31)24-29-21(18-8-6-13-26-17-18)16-23(30-24)28-19-9-2-1-3-10-19/h1-6,8-11,13-14,16-17,22H,7,12,15H2,(H,28,29,30)/t22-/m1/s1
InChIKeyYFWORUWXXWTRHB-JOCHJYFZSA-N
MW422.49 g/mol
LogP4.65
Rot. Bonds5

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

[(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 92575211) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is [(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID92575211
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC Name[(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1
InChIInChI=1S/C25H22N6O/c32-25(20-11-4-5-14-27-20)31-15-7-12-22(31)24-29-21(18-8-6-13-26-17-18)16-23(30-24)28-19-9-2-1-3-10-19/h1-6,8-11,13-14,16-17,22H,7,12,15H2,(H,28,29,30)/t22-/m1/s1
InChIKeyYFWORUWXXWTRHB-JOCHJYFZSA-N
XLogP4.65
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 92575064
[2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110240191
1-[(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 92553004
[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
[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(1R)-cyclohex-3-en-1-yl]methanone
CID 92575173
(5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 110240225
(2S)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 92551198
(2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 92551197
[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone
CID 110240107
pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95813329
[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 92575229

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 92575211) is [(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1.
What is the InChIKey of [(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is YFWORUWXXWTRHB-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H22N6O/c32-25(20-11-4-5-14-27-20)31-15-7-12-22(31)24-29-21(18-8-6-13-26-17-18)16-23(30-24)28-19-9-2-1-3-10-19/h1-6,8-11,13-14,16-17,22H,7,12,15H2,(H,28,29,30)/t22-/m1/s1.
What are the key properties of [(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 422.49 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 92575211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).