6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine

C23H34N4 — CID 167157088

IUPAC6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
SMILESCCCCCc1cc(Cc2ccc(CN3CCNCC3)cc2)c(C)nc1N
InChIInChI=1S/C23H34N4/c1-3-4-5-6-21-16-22(18(2)26-23(21)24)15-19-7-9-20(10-8-19)17-27-13-11-25-12-14-27/h7-10,16,25H,3-6,11-15,17H2,1-2H3,(H2,24,26)
InChIKeyAOSOCYRFNSRSKF-UHFFFAOYSA-N
MW366.55 g/mol
LogP3.70
Rot. Bonds8

About 6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine

6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine (PubChem CID 167157088) has the molecular formula C23H34N4 and a molecular weight of 366.55 g/mol. Its IUPAC name is 6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
PubChem CID167157088
Molecular FormulaC23H34N4
Molecular Weight366.55 g/mol
Exact Mass366.28
IUPAC Name6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
SMILESCCCCCc1cc(Cc2ccc(CN3CCNCC3)cc2)c(C)nc1N
InChIInChI=1S/C23H34N4/c1-3-4-5-6-21-16-22(18(2)26-23(21)24)15-19-7-9-20(10-8-19)17-27-13-11-25-12-14-27/h7-10,16,25H,3-6,11-15,17H2,1-2H3,(H2,24,26)
InChIKeyAOSOCYRFNSRSKF-UHFFFAOYSA-N
XLogP3.70
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-5-[[2-(2-methylprop-2-enyl)-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-pentylpyridin-2-amine
CID 167157045
5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine
CID 167157124
5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine
CID 167157109
5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine
CID 167157059
2-butyl-5-(piperazin-1-ylmethyl)benzamide
CID 174560314
2-butoxy-7-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155046314
5-benzyl-3-pentylquinolin-2-amine
CID 122192094
1-[(4-propylphenyl)methyl]-1,4-diazepane
CID 82128938
[2-[(6-amino-2-methyl-5-pentyl-3-pyridinyl)methyl]-5-[(dimethylamino)methyl]phenyl] acetate
CID 167157163
[7-amino-5-butoxy-3-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-d]pyrimidin-1-yl] formate
CID 175594964
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline
CID 82509242

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine (CID 167157088) is 6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine is CCCCCc1cc(Cc2ccc(CN3CCNCC3)cc2)c(C)nc1N.
What is the InChIKey of 6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The InChIKey is AOSOCYRFNSRSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4/c1-3-4-5-6-21-16-22(18(2)26-23(21)24)15-19-7-9-20(10-8-19)17-27-13-11-25-12-14-27/h7-10,16,25H,3-6,11-15,17H2,1-2H3,(H2,24,26).
What are the key properties of 6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine has a molecular weight of 366.55 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 167157088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).