N,N,N'-trimethyl-N'-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]ethane-1,2-diamine

C21H31N5 — CID 167900421

IUPACN,N,N'-trimethyl-N'-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]ethane-1,2-diamine
SMILESCN(C)CCN(C)c1ccc(-c2cccc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C21H31N5/c1-23(2)12-15-25(4)19-10-8-18(9-11-19)20-6-5-7-21(22-20)26-16-13-24(3)14-17-26/h5-11H,12-17H2,1-4H3
InChIKeySAZFOXMMJOLAKY-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.50
Rot. Bonds6

About N,N,N'-trimethyl-N'-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]ethane-1,2-diamine (PubChem CID 167900421) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]ethane-1,2-diamine
PubChem CID167900421
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC NameN,N,N'-trimethyl-N'-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]ethane-1,2-diamine
SMILESCN(C)CCN(C)c1ccc(-c2cccc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C21H31N5/c1-23(2)12-15-25(4)19-10-8-18(9-11-19)20-6-5-7-21(22-20)26-16-13-24(3)14-17-26/h5-11H,12-17H2,1-4H3
InChIKeySAZFOXMMJOLAKY-UHFFFAOYSA-N
XLogP2.50
TPSA25.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]ethane-1,2-diamine (CID 167900421) is N,N,N'-trimethyl-N'-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]ethane-1,2-diamine is CN(C)CCN(C)c1ccc(-c2cccc(N3CCN(C)CC3)n2)cc1.
What is the InChIKey of N,N,N'-trimethyl-N'-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]ethane-1,2-diamine?
The InChIKey is SAZFOXMMJOLAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-23(2)12-15-25(4)19-10-8-18(9-11-19)20-6-5-7-21(22-20)26-16-13-24(3)14-17-26/h5-11H,12-17H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]ethane-1,2-diamine has a molecular weight of 353.51 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]ethane-1,2-diamine is sourced from PubChem (CID 167900421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).