2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide

C21H22N4O — CID 142792098

IUPAC2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
SMILESCc1cccc(C(Cc2ccncc2)(NCc2ccncc2)C(N)=O)c1
InChIInChI=1S/C21H22N4O/c1-16-3-2-4-19(13-16)21(20(22)26,14-17-5-9-23-10-6-17)25-15-18-7-11-24-12-8-18/h2-13,25H,14-15H2,1H3,(H2,22,26)
InChIKeyUXDWLOXDJXXMIZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.50
Rot. Bonds7

About 2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide

2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide (PubChem CID 142792098) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
PubChem CID142792098
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
SMILESCc1cccc(C(Cc2ccncc2)(NCc2ccncc2)C(N)=O)c1
InChIInChI=1S/C21H22N4O/c1-16-3-2-4-19(13-16)21(20(22)26,14-17-5-9-23-10-6-17)25-15-18-7-11-24-12-8-18/h2-13,25H,14-15H2,1H3,(H2,22,26)
InChIKeyUXDWLOXDJXXMIZ-UHFFFAOYSA-N
XLogP2.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide?
The IUPAC name of 2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide (CID 142792098) is 2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide.
What is the SMILES notation for 2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide?
The canonical SMILES for 2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide is Cc1cccc(C(Cc2ccncc2)(NCc2ccncc2)C(N)=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide?
The InChIKey is UXDWLOXDJXXMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-3-2-4-19(13-16)21(20(22)26,14-17-5-9-23-10-6-17)25-15-18-7-11-24-12-8-18/h2-13,25H,14-15H2,1H3,(H2,22,26).
What are the key properties of 2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide?
2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide has a molecular weight of 346.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide is sourced from PubChem (CID 142792098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).