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

C26H29N5O — CID 110240107

IUPAC[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCCC(c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1
InChIInChI=1S/C26H29N5O/c32-26(19-8-4-5-9-19)31-15-7-11-21(18-31)25-29-23(20-10-6-14-27-17-20)16-24(30-25)28-22-12-2-1-3-13-22/h1-3,6,10,12-14,16-17,19,21H,4-5,7-9,11,15,18H2,(H,28,29,30)
InChIKeySCOMEICGUWSSHC-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.18
Rot. Bonds5

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

[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone (PubChem CID 110240107) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is [3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone
PubChem CID110240107
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCCC(c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1
InChIInChI=1S/C26H29N5O/c32-26(19-8-4-5-9-19)31-15-7-11-21(18-31)25-29-23(20-10-6-14-27-17-20)16-24(30-25)28-22-12-2-1-3-13-22/h1-3,6,10,12-14,16-17,19,21H,4-5,7-9,11,15,18H2,(H,28,29,30)
InChIKeySCOMEICGUWSSHC-UHFFFAOYSA-N
XLogP5.18
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 92575229
[(3S)-3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-cyclobutylmethanone
CID 92575090
[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92575112
4-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110243881
[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
[(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92575246
(5R)-5-[(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95851097
(5S)-5-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 110240267
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
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-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone (CID 110240107) is [3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCCC(c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1.
What is the InChIKey of [3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone?
The InChIKey is SCOMEICGUWSSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c32-26(19-8-4-5-9-19)31-15-7-11-21(18-31)25-29-23(20-10-6-14-27-17-20)16-24(30-25)28-22-12-2-1-3-13-22/h1-3,6,10,12-14,16-17,19,21H,4-5,7-9,11,15,18H2,(H,28,29,30).
What are the key properties of [3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone?
[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone has a molecular weight of 427.55 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 110240107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).