[4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C21H22N6O — CID 109216304

IUPAC[4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(Nc2ccnc(C(=O)N3CCN(c4ncccn4)CC3)c2)cc1
InChIInChI=1S/C21H22N6O/c1-16-3-5-17(6-4-16)25-18-7-10-22-19(15-18)20(28)26-11-13-27(14-12-26)21-23-8-2-9-24-21/h2-10,15H,11-14H2,1H3,(H,22,25)
InChIKeyWUIFJAZKOSNCMR-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.89
Rot. Bonds4

About [4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109216304) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is [4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109216304
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name[4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(Nc2ccnc(C(=O)N3CCN(c4ncccn4)CC3)c2)cc1
InChIInChI=1S/C21H22N6O/c1-16-3-5-17(6-4-16)25-18-7-10-22-19(15-18)20(28)26-11-13-27(14-12-26)21-23-8-2-9-24-21/h2-10,15H,11-14H2,1H3,(H,22,25)
InChIKeyWUIFJAZKOSNCMR-UHFFFAOYSA-N
XLogP2.89
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109216328
[6-(4-methylanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109353234
[5-(3-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194522
1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209061
[4-(3-methylbutylamino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109216294
4-[[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-4-pyridinyl]amino]benzonitrile
CID 109216036
1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209084
[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208134
[4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109207935
[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109188753
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
azepan-1-yl-[4-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methanone
CID 109218598

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109216304) is [4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1ccc(Nc2ccnc(C(=O)N3CCN(c4ncccn4)CC3)c2)cc1.
What is the InChIKey of [4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is WUIFJAZKOSNCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-16-3-5-17(6-4-16)25-18-7-10-22-19(15-18)20(28)26-11-13-27(14-12-26)21-23-8-2-9-24-21/h2-10,15H,11-14H2,1H3,(H,22,25).
What are the key properties of [4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 374.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109216304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).