6-methyl-2-[[3-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]pyridin-3-ol

C19H26N4O — CID 71982523

IUPAC6-methyl-2-[[3-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNc2cccc(CN3CCN(C)CC3)c2)n1
InChIInChI=1S/C19H26N4O/c1-15-6-7-19(24)18(21-15)13-20-17-5-3-4-16(12-17)14-23-10-8-22(2)9-11-23/h3-7,12,20,24H,8-11,13-14H2,1-2H3
InChIKeyLYKXQBPFKUJHPY-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.46
Rot. Bonds5

About 6-methyl-2-[[3-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]pyridin-3-ol

6-methyl-2-[[3-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]pyridin-3-ol (PubChem CID 71982523) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-methyl-2-[[3-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[3-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]pyridin-3-ol
PubChem CID71982523
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name6-methyl-2-[[3-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNc2cccc(CN3CCN(C)CC3)c2)n1
InChIInChI=1S/C19H26N4O/c1-15-6-7-19(24)18(21-15)13-20-17-5-3-4-16(12-17)14-23-10-8-22(2)9-11-23/h3-7,12,20,24H,8-11,13-14H2,1-2H3
InChIKeyLYKXQBPFKUJHPY-UHFFFAOYSA-N
XLogP2.46
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[3-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[3-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]pyridin-3-ol (CID 71982523) is 6-methyl-2-[[3-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[3-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[3-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]pyridin-3-ol is Cc1ccc(O)c(CNc2cccc(CN3CCN(C)CC3)c2)n1.
What is the InChIKey of 6-methyl-2-[[3-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]pyridin-3-ol?
The InChIKey is LYKXQBPFKUJHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-6-7-19(24)18(21-15)13-20-17-5-3-4-16(12-17)14-23-10-8-22(2)9-11-23/h3-7,12,20,24H,8-11,13-14H2,1-2H3.
What are the key properties of 6-methyl-2-[[3-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]pyridin-3-ol?
6-methyl-2-[[3-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]pyridin-3-ol has a molecular weight of 326.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[3-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]pyridin-3-ol is sourced from PubChem (CID 71982523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).