[5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C22H24N6O — CID 109194531

IUPAC[5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cccc(Nc2ccc(C(=O)N3CCN(c4ncccn4)CC3)nc2)c1C
InChIInChI=1S/C22H24N6O/c1-16-5-3-6-19(17(16)2)26-18-7-8-20(25-15-18)21(29)27-11-13-28(14-12-27)22-23-9-4-10-24-22/h3-10,15,26H,11-14H2,1-2H3
InChIKeyICSIOKCMFIVXJP-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.19
Rot. Bonds4

About [5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109194531) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is [5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109194531
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name[5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cccc(Nc2ccc(C(=O)N3CCN(c4ncccn4)CC3)nc2)c1C
InChIInChI=1S/C22H24N6O/c1-16-5-3-6-19(17(16)2)26-18-7-8-20(25-15-18)21(29)27-11-13-28(14-12-27)22-23-9-4-10-24-22/h3-10,15,26H,11-14H2,1-2H3
InChIKeyICSIOKCMFIVXJP-UHFFFAOYSA-N
XLogP3.19
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194521
[5-(3-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194522
[5-(3-fluoroanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194543
[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109188753
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-2-pyridinyl]methanone
CID 109197739
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285519
[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193419
N-(2,3-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958126
N-cyclopropyl-5-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109179934
(2-hydroxy-3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 43824625
[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109332196

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109194531) is [5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1cccc(Nc2ccc(C(=O)N3CCN(c4ncccn4)CC3)nc2)c1C.
What is the InChIKey of [5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ICSIOKCMFIVXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-16-5-3-6-19(17(16)2)26-18-7-8-20(25-15-18)21(29)27-11-13-28(14-12-27)22-23-9-4-10-24-22/h3-10,15,26H,11-14H2,1-2H3.
What are the key properties of [5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 388.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dimethylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109194531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).