[6-(3,4-dimethylphenyl)-2-(2-methoxyethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C22H30N4O2 — CID 126474320

IUPAC[6-(3,4-dimethylphenyl)-2-(2-methoxyethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOCCNc1nc(-c2ccc(C)c(C)c2)ccc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C22H30N4O2/c1-16-5-6-18(15-17(16)2)20-8-7-19(21(24-20)23-9-14-28-4)22(27)26-12-10-25(3)11-13-26/h5-8,15H,9-14H2,1-4H3,(H,23,24)
InChIKeyBLQGTEIPXRJLLE-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.81
Rot. Bonds6

About [6-(3,4-dimethylphenyl)-2-(2-methoxyethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[6-(3,4-dimethylphenyl)-2-(2-methoxyethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 126474320) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is [6-(3,4-dimethylphenyl)-2-(2-methoxyethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3,4-dimethylphenyl)-2-(2-methoxyethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID126474320
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name[6-(3,4-dimethylphenyl)-2-(2-methoxyethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOCCNc1nc(-c2ccc(C)c(C)c2)ccc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C22H30N4O2/c1-16-5-6-18(15-17(16)2)20-8-7-19(21(24-20)23-9-14-28-4)22(27)26-12-10-25(3)11-13-26/h5-8,15H,9-14H2,1-4H3,(H,23,24)
InChIKeyBLQGTEIPXRJLLE-UHFFFAOYSA-N
XLogP2.81
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-N-methyl-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 126471461
6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide
CID 126473970
N-(2-acetamidoethyl)-6-(1,3-benzodioxol-5-yl)-2-(2-methoxyethylamino)pyridine-3-carboxamide
CID 126472031
[5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 53041161
2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 53186359
6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167518042
[2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 53167110
6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 70270019
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103395
ethyl 4-[2-(2-methoxyethylamino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109323537
6-(3-methoxypropyl)-10-methyl-5-(4-methylpiperazine-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 4974792

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dimethylphenyl)-2-(2-methoxyethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-(3,4-dimethylphenyl)-2-(2-methoxyethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 126474320) is [6-(3,4-dimethylphenyl)-2-(2-methoxyethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(3,4-dimethylphenyl)-2-(2-methoxyethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(3,4-dimethylphenyl)-2-(2-methoxyethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is COCCNc1nc(-c2ccc(C)c(C)c2)ccc1C(=O)N1CCN(C)CC1.
What is the InChIKey of [6-(3,4-dimethylphenyl)-2-(2-methoxyethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is BLQGTEIPXRJLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-5-6-18(15-17(16)2)20-8-7-19(21(24-20)23-9-14-28-4)22(27)26-12-10-25(3)11-13-26/h5-8,15H,9-14H2,1-4H3,(H,23,24).
What are the key properties of [6-(3,4-dimethylphenyl)-2-(2-methoxyethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[6-(3,4-dimethylphenyl)-2-(2-methoxyethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 382.51 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dimethylphenyl)-2-(2-methoxyethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 126474320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).