2-N-[4-[2-(2-aminoanilino)-4-pyridinyl]-2-pyridinyl]benzene-1,2-diamine

C22H20N6 — CID 10384407

IUPAC2-N-[4-[2-(2-aminoanilino)-4-pyridinyl]-2-pyridinyl]benzene-1,2-diamine
SMILESNc1ccccc1Nc1cc(-c2ccnc(Nc3ccccc3N)c2)ccn1
InChIInChI=1S/C22H20N6/c23-17-5-1-3-7-19(17)27-21-13-15(9-11-25-21)16-10-12-26-22(14-16)28-20-8-4-2-6-18(20)24/h1-14H,23-24H2,(H,25,27)(H,26,28)
InChIKeyHCYVXZBPVNQTND-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.80
Rot. Bonds5

About 2-N-[4-[2-(2-aminoanilino)-4-pyridinyl]-2-pyridinyl]benzene-1,2-diamine

2-N-[4-[2-(2-aminoanilino)-4-pyridinyl]-2-pyridinyl]benzene-1,2-diamine (PubChem CID 10384407) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-N-[4-[2-(2-aminoanilino)-4-pyridinyl]-2-pyridinyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[4-[2-(2-aminoanilino)-4-pyridinyl]-2-pyridinyl]benzene-1,2-diamine
PubChem CID10384407
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name2-N-[4-[2-(2-aminoanilino)-4-pyridinyl]-2-pyridinyl]benzene-1,2-diamine
SMILESNc1ccccc1Nc1cc(-c2ccnc(Nc3ccccc3N)c2)ccn1
InChIInChI=1S/C22H20N6/c23-17-5-1-3-7-19(17)27-21-13-15(9-11-25-21)16-10-12-26-22(14-16)28-20-8-4-2-6-18(20)24/h1-14H,23-24H2,(H,25,27)(H,26,28)
InChIKeyHCYVXZBPVNQTND-UHFFFAOYSA-N
XLogP4.80
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[2-(2-aminoanilino)-4-pyridinyl]-2-pyridinyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[4-[2-(2-aminoanilino)-4-pyridinyl]-2-pyridinyl]benzene-1,2-diamine (CID 10384407) is 2-N-[4-[2-(2-aminoanilino)-4-pyridinyl]-2-pyridinyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[4-[2-(2-aminoanilino)-4-pyridinyl]-2-pyridinyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[4-[2-(2-aminoanilino)-4-pyridinyl]-2-pyridinyl]benzene-1,2-diamine is Nc1ccccc1Nc1cc(-c2ccnc(Nc3ccccc3N)c2)ccn1.
What is the InChIKey of 2-N-[4-[2-(2-aminoanilino)-4-pyridinyl]-2-pyridinyl]benzene-1,2-diamine?
The InChIKey is HCYVXZBPVNQTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c23-17-5-1-3-7-19(17)27-21-13-15(9-11-25-21)16-10-12-26-22(14-16)28-20-8-4-2-6-18(20)24/h1-14H,23-24H2,(H,25,27)(H,26,28).
What are the key properties of 2-N-[4-[2-(2-aminoanilino)-4-pyridinyl]-2-pyridinyl]benzene-1,2-diamine?
2-N-[4-[2-(2-aminoanilino)-4-pyridinyl]-2-pyridinyl]benzene-1,2-diamine has a molecular weight of 368.44 g/mol, XLogP of 4.80, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[2-(2-aminoanilino)-4-pyridinyl]-2-pyridinyl]benzene-1,2-diamine is sourced from PubChem (CID 10384407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).