N,N,N',N'-tetrakis[(4-chloro-2-pyridinyl)methyl]ethane-1,2-diamine

C26H24Cl4N6 — CID 10650537

IUPACN,N,N',N'-tetrakis[(4-chloro-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESClc1ccnc(CN(CCN(Cc2cc(Cl)ccn2)Cc2cc(Cl)ccn2)Cc2cc(Cl)ccn2)c1
InChIInChI=1S/C26H24Cl4N6/c27-19-1-5-31-23(11-19)15-35(16-24-12-20(28)2-6-32-24)9-10-36(17-25-13-21(29)3-7-33-25)18-26-14-22(30)4-8-34-26/h1-8,11-14H,9-10,15-18H2
InChIKeyNJBTXDJRUXQUKI-UHFFFAOYSA-N
MW562.33 g/mol
LogP6.58
Rot. Bonds11

About N,N,N',N'-tetrakis[(4-chloro-2-pyridinyl)methyl]ethane-1,2-diamine

N,N,N',N'-tetrakis[(4-chloro-2-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 10650537) has the molecular formula C26H24Cl4N6 and a molecular weight of 562.33 g/mol. Its IUPAC name is N,N,N',N'-tetrakis[(4-chloro-2-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis[(4-chloro-2-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID10650537
Molecular FormulaC26H24Cl4N6
Molecular Weight562.33 g/mol
Exact Mass560.08
IUPAC NameN,N,N',N'-tetrakis[(4-chloro-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESClc1ccnc(CN(CCN(Cc2cc(Cl)ccn2)Cc2cc(Cl)ccn2)Cc2cc(Cl)ccn2)c1
InChIInChI=1S/C26H24Cl4N6/c27-19-1-5-31-23(11-19)15-35(16-24-12-20(28)2-6-32-24)9-10-36(17-25-13-21(29)3-7-33-25)18-26-14-22(30)4-8-34-26/h1-8,11-14H,9-10,15-18H2
InChIKeyNJBTXDJRUXQUKI-UHFFFAOYSA-N
XLogP6.58
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.33
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis[(4-chloro-2-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N',N'-tetrakis[(4-chloro-2-pyridinyl)methyl]ethane-1,2-diamine (CID 10650537) is N,N,N',N'-tetrakis[(4-chloro-2-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis[(4-chloro-2-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N',N'-tetrakis[(4-chloro-2-pyridinyl)methyl]ethane-1,2-diamine is Clc1ccnc(CN(CCN(Cc2cc(Cl)ccn2)Cc2cc(Cl)ccn2)Cc2cc(Cl)ccn2)c1.
What is the InChIKey of N,N,N',N'-tetrakis[(4-chloro-2-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is NJBTXDJRUXQUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl4N6/c27-19-1-5-31-23(11-19)15-35(16-24-12-20(28)2-6-32-24)9-10-36(17-25-13-21(29)3-7-33-25)18-26-14-22(30)4-8-34-26/h1-8,11-14H,9-10,15-18H2.
What are the key properties of N,N,N',N'-tetrakis[(4-chloro-2-pyridinyl)methyl]ethane-1,2-diamine?
N,N,N',N'-tetrakis[(4-chloro-2-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 562.33 g/mol, XLogP of 6.58, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis[(4-chloro-2-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 10650537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).