2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide

C24H21N5O2 — CID 122192868

IUPAC2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
SMILESCc1cc(-c2ccc(OC(C)C(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1
InChIInChI=1S/C24H21N5O2/c1-16-13-19(9-10-26-16)18-3-6-21(7-4-18)31-17(2)24(30)29-23-8-5-20(14-28-23)22-15-25-11-12-27-22/h3-15,17H,1-2H3,(H,28,29,30)
InChIKeyABECVUABIRGFJZ-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.32
Rot. Bonds6

About 2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide

2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide (PubChem CID 122192868) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
PubChem CID122192868
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
SMILESCc1cc(-c2ccc(OC(C)C(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1
InChIInChI=1S/C24H21N5O2/c1-16-13-19(9-10-26-16)18-3-6-21(7-4-18)31-17(2)24(30)29-23-8-5-20(14-28-23)22-15-25-11-12-27-22/h3-15,17H,1-2H3,(H,28,29,30)
InChIKeyABECVUABIRGFJZ-UHFFFAOYSA-N
XLogP4.32
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide?
The IUPAC name of 2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide (CID 122192868) is 2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide?
The canonical SMILES for 2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide is Cc1cc(-c2ccc(OC(C)C(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1.
What is the InChIKey of 2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide?
The InChIKey is ABECVUABIRGFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-16-13-19(9-10-26-16)18-3-6-21(7-4-18)31-17(2)24(30)29-23-8-5-20(14-28-23)22-15-25-11-12-27-22/h3-15,17H,1-2H3,(H,28,29,30).
What are the key properties of 2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide?
2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide has a molecular weight of 411.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide is sourced from PubChem (CID 122192868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).