N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide

C24H20N4O2 — CID 10475851

IUPACN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)cc1
InChIInChI=1S/C24H20N4O2/c1-30-21-9-7-17(8-10-21)24(29)28-23-16-19(12-14-26-23)18-11-13-25-22(15-18)27-20-5-3-2-4-6-20/h2-16H,1H3,(H,25,27)(H,26,28,29)
InChIKeyGGGHHZBUSZNPGF-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.15
Rot. Bonds6

About N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide

N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide (PubChem CID 10475851) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide
PubChem CID10475851
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)cc1
InChIInChI=1S/C24H20N4O2/c1-30-21-9-7-17(8-10-21)24(29)28-23-16-19(12-14-26-23)18-11-13-25-22(15-18)27-20-5-3-2-4-6-20/h2-16H,1H3,(H,25,27)(H,26,28,29)
InChIKeyGGGHHZBUSZNPGF-UHFFFAOYSA-N
XLogP5.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide?
The IUPAC name of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide (CID 10475851) is N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)cc1.
What is the InChIKey of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide?
The InChIKey is GGGHHZBUSZNPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-30-21-9-7-17(8-10-21)24(29)28-23-16-19(12-14-26-23)18-11-13-25-22(15-18)27-20-5-3-2-4-6-20/h2-16H,1H3,(H,25,27)(H,26,28,29).
What are the key properties of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide?
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide has a molecular weight of 396.45 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 10475851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).