2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine

C23H21ClN6 — CID 71505179

IUPAC2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine
SMILESNc1cc(N)c(Nc2ccccc2Nc2ccc(Cl)cc2)cc1Nc1cccnc1
InChIInChI=1S/C23H21ClN6/c24-15-7-9-16(10-8-15)28-20-5-1-2-6-21(20)30-23-13-22(18(25)12-19(23)26)29-17-4-3-11-27-14-17/h1-14,28-30H,25-26H2
InChIKeyJYEUFLJQYNSQNN-UHFFFAOYSA-N
MW416.92 g/mol
LogP6.13
Rot. Bonds6

About 2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine

2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine (PubChem CID 71505179) has the molecular formula C23H21ClN6 and a molecular weight of 416.92 g/mol. Its IUPAC name is 2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine.

Molecular Properties

Compound Name2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine
PubChem CID71505179
Molecular FormulaC23H21ClN6
Molecular Weight416.92 g/mol
Exact Mass416.15
IUPAC Name2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine
SMILESNc1cc(N)c(Nc2ccccc2Nc2ccc(Cl)cc2)cc1Nc1cccnc1
InChIInChI=1S/C23H21ClN6/c24-15-7-9-16(10-8-15)28-20-5-1-2-6-21(20)30-23-13-22(18(25)12-19(23)26)29-17-4-3-11-27-14-17/h1-14,28-30H,25-26H2
InChIKeyJYEUFLJQYNSQNN-UHFFFAOYSA-N
XLogP6.13
TPSA101.02 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.92
LogP ≤ 56.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine
CID 115127653
1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
CID 22968513
4-chloro-2-(pyridin-3-ylamino)phenol
CID 102179670
N-(5-chloro-2-methylphenyl)pyridin-3-amine
CID 82536338
4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
3-N-[2-(4-methylanilino)phenyl]-4,6-dinitro-1-N-pyridin-3-ylbenzene-1,3-diamine
CID 71504070
ethane;N-(2-methylphenyl)pyridin-3-amine
CID 143449341
4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 2815904
6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145485
2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine
CID 155166401
2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine
CID 135123549
N-(2,3,4-trifluorophenyl)pyridin-3-amine
CID 82537499

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine?
The IUPAC name of 2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine (CID 71505179) is 2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine.
What is the SMILES notation for 2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine?
The canonical SMILES for 2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine is Nc1cc(N)c(Nc2ccccc2Nc2ccc(Cl)cc2)cc1Nc1cccnc1.
What is the InChIKey of 2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine?
The InChIKey is JYEUFLJQYNSQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6/c24-15-7-9-16(10-8-15)28-20-5-1-2-6-21(20)30-23-13-22(18(25)12-19(23)26)29-17-4-3-11-27-14-17/h1-14,28-30H,25-26H2.
What are the key properties of 2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine?
2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine has a molecular weight of 416.92 g/mol, XLogP of 6.13, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine is sourced from PubChem (CID 71505179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).