3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide

C24H21N5O — CID 122192867

IUPAC3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
SMILESCc1cc(-c2ccc(CCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1
InChIInChI=1S/C24H21N5O/c1-17-14-20(10-11-26-17)19-5-2-18(3-6-19)4-9-24(30)29-23-8-7-21(15-28-23)22-16-25-12-13-27-22/h2-3,5-8,10-16H,4,9H2,1H3,(H,28,29,30)
InChIKeyUBCHFVBCRIKZNI-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.48
Rot. Bonds6

About 3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide

3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide (PubChem CID 122192867) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
PubChem CID122192867
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
SMILESCc1cc(-c2ccc(CCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1
InChIInChI=1S/C24H21N5O/c1-17-14-20(10-11-26-17)19-5-2-18(3-6-19)4-9-24(30)29-23-8-7-21(15-28-23)22-16-25-12-13-27-22/h2-3,5-8,10-16H,4,9H2,1H3,(H,28,29,30)
InChIKeyUBCHFVBCRIKZNI-UHFFFAOYSA-N
XLogP4.48
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide?
The IUPAC name of 3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide (CID 122192867) is 3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide is Cc1cc(-c2ccc(CCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1.
What is the InChIKey of 3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide?
The InChIKey is UBCHFVBCRIKZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-17-14-20(10-11-26-17)19-5-2-18(3-6-19)4-9-24(30)29-23-8-7-21(15-28-23)22-16-25-12-13-27-22/h2-3,5-8,10-16H,4,9H2,1H3,(H,28,29,30).
What are the key properties of 3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide?
3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide has a molecular weight of 395.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide is sourced from PubChem (CID 122192867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).