2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one

C26H35N7O — CID 143079223

IUPAC2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one
SMILESCCN(CCN(C)C)c1ccnc(-c2cc(=O)cc(-c3cc(N4CCN(C)CC4)ccn3)[nH]2)c1
InChIInChI=1S/C26H35N7O/c1-5-32(13-10-30(2)3)20-6-8-27-23(16-20)25-18-22(34)19-26(29-25)24-17-21(7-9-28-24)33-14-11-31(4)12-15-33/h6-9,16-19H,5,10-15H2,1-4H3,(H,29,34)
InChIKeyLKLMSPPMZLOOQZ-UHFFFAOYSA-N
MW461.61 g/mol
LogP2.64
Rot. Bonds8

About 2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one

2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one (PubChem CID 143079223) has the molecular formula C26H35N7O and a molecular weight of 461.61 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one
PubChem CID143079223
Molecular FormulaC26H35N7O
Molecular Weight461.61 g/mol
Exact Mass461.29
IUPAC Name2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one
SMILESCCN(CCN(C)C)c1ccnc(-c2cc(=O)cc(-c3cc(N4CCN(C)CC4)ccn3)[nH]2)c1
InChIInChI=1S/C26H35N7O/c1-5-32(13-10-30(2)3)20-6-8-27-23(16-20)25-18-22(34)19-26(29-25)24-17-21(7-9-28-24)33-14-11-31(4)12-15-33/h6-9,16-19H,5,10-15H2,1-4H3,(H,29,34)
InChIKeyLKLMSPPMZLOOQZ-UHFFFAOYSA-N
XLogP2.64
TPSA71.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one with MolForge

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Related Compounds

2,6-bis[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-1H-pyridin-4-one dichloride
CID 169427888
2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one
CID 135839351
N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline
CID 25216821
bis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium
CID 11061769
4-(dimethylamino)-2-methyl-5-(4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-triazole-3-thione
CID 98127547
1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine
CID 25218278
N-(2-adamantyl)-N-methyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 90146384
1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine
CID 25218150
N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112887954
1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine
CID 25218276
4-pyrrolidin-1-yl-2-(4-pyrrolidin-1-yl-2-pyridinyl)pyridine
CID 11601769
2-[(3E,5Z)-6-amino-4-(4,4-dimethylpiperazin-4-ium-1-yl)hexa-1,3,5-trien-2-yl]-6-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-1H-pyridin-4-one
CID 89220163

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one (CID 143079223) is 2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one is CCN(CCN(C)C)c1ccnc(-c2cc(=O)cc(-c3cc(N4CCN(C)CC4)ccn3)[nH]2)c1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one?
The InChIKey is LKLMSPPMZLOOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O/c1-5-32(13-10-30(2)3)20-6-8-27-23(16-20)25-18-22(34)19-26(29-25)24-17-21(7-9-28-24)33-14-11-31(4)12-15-33/h6-9,16-19H,5,10-15H2,1-4H3,(H,29,34).
What are the key properties of 2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one?
2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one has a molecular weight of 461.61 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl-ethylamino]-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyridin-4-one is sourced from PubChem (CID 143079223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).