N,N,N',N'-tetrapyridin-2-ylethane-1,2-diamine

C22H20N6 — CID 10021950

IUPACN,N,N',N'-tetrapyridin-2-ylethane-1,2-diamine
SMILESc1ccc(N(CCN(c2ccccn2)c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/C22H20N6/c1-5-13-23-19(9-1)27(20-10-2-6-14-24-20)17-18-28(21-11-3-7-15-25-21)22-12-4-8-16-26-22/h1-16H,17-18H2
InChIKeyLNCBZAMJZBRNOY-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.24
Rot. Bonds7

About N,N,N',N'-tetrapyridin-2-ylethane-1,2-diamine

N,N,N',N'-tetrapyridin-2-ylethane-1,2-diamine (PubChem CID 10021950) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is N,N,N',N'-tetrapyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrapyridin-2-ylethane-1,2-diamine
PubChem CID10021950
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC NameN,N,N',N'-tetrapyridin-2-ylethane-1,2-diamine
SMILESc1ccc(N(CCN(c2ccccn2)c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/C22H20N6/c1-5-13-23-19(9-1)27(20-10-2-6-14-24-20)17-18-28(21-11-3-7-15-25-21)22-12-4-8-16-26-22/h1-16H,17-18H2
InChIKeyLNCBZAMJZBRNOY-UHFFFAOYSA-N
XLogP4.24
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.24
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'-tetrapyridin-2-ylethane-1,2-diamine?
The IUPAC name of N,N,N',N'-tetrapyridin-2-ylethane-1,2-diamine (CID 10021950) is N,N,N',N'-tetrapyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N,N',N'-tetrapyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N,N,N',N'-tetrapyridin-2-ylethane-1,2-diamine is c1ccc(N(CCN(c2ccccn2)c2ccccn2)c2ccccn2)nc1.
What is the InChIKey of N,N,N',N'-tetrapyridin-2-ylethane-1,2-diamine?
The InChIKey is LNCBZAMJZBRNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-5-13-23-19(9-1)27(20-10-2-6-14-24-20)17-18-28(21-11-3-7-15-25-21)22-12-4-8-16-26-22/h1-16H,17-18H2.
What are the key properties of N,N,N',N'-tetrapyridin-2-ylethane-1,2-diamine?
N,N,N',N'-tetrapyridin-2-ylethane-1,2-diamine has a molecular weight of 368.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrapyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 10021950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).