4-[2-(2-methoxyanilino)-4-pyridinyl]-N-(2-methoxyphenyl)pyridin-2-amine

C24H22N4O2 — CID 10475988

IUPAC4-[2-(2-methoxyanilino)-4-pyridinyl]-N-(2-methoxyphenyl)pyridin-2-amine
SMILESCOc1ccccc1Nc1cc(-c2ccnc(Nc3ccccc3OC)c2)ccn1
InChIInChI=1S/C24H22N4O2/c1-29-21-9-5-3-7-19(21)27-23-15-17(11-13-25-23)18-12-14-26-24(16-18)28-20-8-4-6-10-22(20)30-2/h3-16H,1-2H3,(H,25,27)(H,26,28)
InChIKeyBEJCWWBEHHBUTJ-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.65
Rot. Bonds7

About 4-[2-(2-methoxyanilino)-4-pyridinyl]-N-(2-methoxyphenyl)pyridin-2-amine

4-[2-(2-methoxyanilino)-4-pyridinyl]-N-(2-methoxyphenyl)pyridin-2-amine (PubChem CID 10475988) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[2-(2-methoxyanilino)-4-pyridinyl]-N-(2-methoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(2-methoxyanilino)-4-pyridinyl]-N-(2-methoxyphenyl)pyridin-2-amine
PubChem CID10475988
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name4-[2-(2-methoxyanilino)-4-pyridinyl]-N-(2-methoxyphenyl)pyridin-2-amine
SMILESCOc1ccccc1Nc1cc(-c2ccnc(Nc3ccccc3OC)c2)ccn1
InChIInChI=1S/C24H22N4O2/c1-29-21-9-5-3-7-19(21)27-23-15-17(11-13-25-23)18-12-14-26-24(16-18)28-20-8-4-6-10-22(20)30-2/h3-16H,1-2H3,(H,25,27)(H,26,28)
InChIKeyBEJCWWBEHHBUTJ-UHFFFAOYSA-N
XLogP5.65
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyanilino)-4-pyridinyl]-N-(2-methoxyphenyl)pyridin-2-amine?
The IUPAC name of 4-[2-(2-methoxyanilino)-4-pyridinyl]-N-(2-methoxyphenyl)pyridin-2-amine (CID 10475988) is 4-[2-(2-methoxyanilino)-4-pyridinyl]-N-(2-methoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 4-[2-(2-methoxyanilino)-4-pyridinyl]-N-(2-methoxyphenyl)pyridin-2-amine?
The canonical SMILES for 4-[2-(2-methoxyanilino)-4-pyridinyl]-N-(2-methoxyphenyl)pyridin-2-amine is COc1ccccc1Nc1cc(-c2ccnc(Nc3ccccc3OC)c2)ccn1.
What is the InChIKey of 4-[2-(2-methoxyanilino)-4-pyridinyl]-N-(2-methoxyphenyl)pyridin-2-amine?
The InChIKey is BEJCWWBEHHBUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-29-21-9-5-3-7-19(21)27-23-15-17(11-13-25-23)18-12-14-26-24(16-18)28-20-8-4-6-10-22(20)30-2/h3-16H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-[2-(2-methoxyanilino)-4-pyridinyl]-N-(2-methoxyphenyl)pyridin-2-amine?
4-[2-(2-methoxyanilino)-4-pyridinyl]-N-(2-methoxyphenyl)pyridin-2-amine has a molecular weight of 398.47 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyanilino)-4-pyridinyl]-N-(2-methoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 10475988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).