5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine

C24H37N7 — CID 172866624

IUPAC5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine
SMILESCCN1CCN(Cc2ccc(Nc3ccc(CN4CCN(CC)CC4)cn3)nc2)CC1
InChIInChI=1S/C24H37N7/c1-3-28-9-13-30(14-10-28)19-21-5-7-23(25-17-21)27-24-8-6-22(18-26-24)20-31-15-11-29(4-2)12-16-31/h5-8,17-18H,3-4,9-16,19-20H2,1-2H3,(H,25,26,27)
InChIKeyCSQNGSLMXXLWRZ-UHFFFAOYSA-N
MW423.61 g/mol
LogP2.50
Rot. Bonds8

About 5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine

5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine (PubChem CID 172866624) has the molecular formula C24H37N7 and a molecular weight of 423.61 g/mol. Its IUPAC name is 5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine
PubChem CID172866624
Molecular FormulaC24H37N7
Molecular Weight423.61 g/mol
Exact Mass423.31
IUPAC Name5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine
SMILESCCN1CCN(Cc2ccc(Nc3ccc(CN4CCN(CC)CC4)cn3)nc2)CC1
InChIInChI=1S/C24H37N7/c1-3-28-9-13-30(14-10-28)19-21-5-7-23(25-17-21)27-24-8-6-22(18-26-24)20-31-15-11-29(4-2)12-16-31/h5-8,17-18H,3-4,9-16,19-20H2,1-2H3,(H,25,26,27)
InChIKeyCSQNGSLMXXLWRZ-UHFFFAOYSA-N
XLogP2.50
TPSA50.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
CID 155403164
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-pyridin-2-ylpyrimidin-2-amine
CID 175929946
5-(azepan-1-ylmethyl)-N-methylpyridin-2-amine
CID 62182145
5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine
CID 171675677
5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 63160322
N-ethyl-5-(morpholin-4-ylmethyl)pyridin-2-amine
CID 62177527
2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 168953841
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
CID 176914801
4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
CID 165385630
ethane;N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-4-methyl-3-propan-2-yl-4,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2,5,8,10-pentaen-11-amine
CID 142345747
6-(3-cyclobutyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine
CID 145178144
7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 166981731

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine (CID 172866624) is 5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine is CCN1CCN(Cc2ccc(Nc3ccc(CN4CCN(CC)CC4)cn3)nc2)CC1.
What is the InChIKey of 5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine?
The InChIKey is CSQNGSLMXXLWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N7/c1-3-28-9-13-30(14-10-28)19-21-5-7-23(25-17-21)27-24-8-6-22(18-26-24)20-31-15-11-29(4-2)12-16-31/h5-8,17-18H,3-4,9-16,19-20H2,1-2H3,(H,25,26,27).
What are the key properties of 5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine?
5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine has a molecular weight of 423.61 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 172866624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).