2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine

C24H24N6 — CID 129150933

IUPAC2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine
SMILESCN(c1ncccc1Nc1ccccc1)N(C)c1ncccc1Nc1ccccc1
InChIInChI=1S/C24H24N6/c1-29(23-21(15-9-17-25-23)27-19-11-5-3-6-12-19)30(2)24-22(16-10-18-26-24)28-20-13-7-4-8-14-20/h3-18,27-28H,1-2H3
InChIKeyYBBLMNMDMBCHTF-UHFFFAOYSA-N
MW396.50 g/mol
LogP5.45
Rot. Bonds7

About 2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine

2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine (PubChem CID 129150933) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine.

Molecular Properties

Compound Name2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine
PubChem CID129150933
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine
SMILESCN(c1ncccc1Nc1ccccc1)N(C)c1ncccc1Nc1ccccc1
InChIInChI=1S/C24H24N6/c1-29(23-21(15-9-17-25-23)27-19-11-5-3-6-12-19)30(2)24-22(16-10-18-26-24)28-20-13-7-4-8-14-20/h3-18,27-28H,1-2H3
InChIKeyYBBLMNMDMBCHTF-UHFFFAOYSA-N
XLogP5.45
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine?
The IUPAC name of 2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine (CID 129150933) is 2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine.
What is the SMILES notation for 2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine?
The canonical SMILES for 2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine is CN(c1ncccc1Nc1ccccc1)N(C)c1ncccc1Nc1ccccc1.
What is the InChIKey of 2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine?
The InChIKey is YBBLMNMDMBCHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-29(23-21(15-9-17-25-23)27-19-11-5-3-6-12-19)30(2)24-22(16-10-18-26-24)28-20-13-7-4-8-14-20/h3-18,27-28H,1-2H3.
What are the key properties of 2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine?
2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine has a molecular weight of 396.50 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine is sourced from PubChem (CID 129150933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).