N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine

C15H26N4O — CID 120840257

IUPACN-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCOCCN(C)c1ccc(CN2CCNC(C)C2)cn1
InChIInChI=1S/C15H26N4O/c1-13-11-19(7-6-16-13)12-14-4-5-15(17-10-14)18(2)8-9-20-3/h4-5,10,13,16H,6-9,11-12H2,1-3H3
InChIKeyXAJLPOKCFJWYRG-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.96
Rot. Bonds6

About N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine

N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine (PubChem CID 120840257) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine
PubChem CID120840257
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCOCCN(C)c1ccc(CN2CCNC(C)C2)cn1
InChIInChI=1S/C15H26N4O/c1-13-11-19(7-6-16-13)12-14-4-5-15(17-10-14)18(2)8-9-20-3/h4-5,10,13,16H,6-9,11-12H2,1-3H3
InChIKeyXAJLPOKCFJWYRG-UHFFFAOYSA-N
XLogP0.96
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine (CID 120840257) is N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine is COCCN(C)c1ccc(CN2CCNC(C)C2)cn1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine?
The InChIKey is XAJLPOKCFJWYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-13-11-19(7-6-16-13)12-14-4-5-15(17-10-14)18(2)8-9-20-3/h4-5,10,13,16H,6-9,11-12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine?
N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 120840257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).