2-(methylamino)-N-[6-(2-phenylethynyl)-5-(5-phenyl-3-pyridinyl)-2-pyridinyl]propanamide

C28H24N4O — CID 71714901

IUPAC2-(methylamino)-N-[6-(2-phenylethynyl)-5-(5-phenyl-3-pyridinyl)-2-pyridinyl]propanamide
SMILESCNC(C)C(=O)Nc1ccc(-c2cncc(-c3ccccc3)c2)c(C#Cc2ccccc2)n1
InChIInChI=1S/C28H24N4O/c1-20(29-2)28(33)32-27-16-14-25(26(31-27)15-13-21-9-5-3-6-10-21)24-17-23(18-30-19-24)22-11-7-4-8-12-22/h3-12,14,16-20,29H,1-2H3,(H,31,32,33)
InChIKeyNMGZWYJSWWBGKU-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.76
Rot. Bonds5

About 2-(methylamino)-N-[6-(2-phenylethynyl)-5-(5-phenyl-3-pyridinyl)-2-pyridinyl]propanamide

2-(methylamino)-N-[6-(2-phenylethynyl)-5-(5-phenyl-3-pyridinyl)-2-pyridinyl]propanamide (PubChem CID 71714901) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-(methylamino)-N-[6-(2-phenylethynyl)-5-(5-phenyl-3-pyridinyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-[6-(2-phenylethynyl)-5-(5-phenyl-3-pyridinyl)-2-pyridinyl]propanamide
PubChem CID71714901
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC Name2-(methylamino)-N-[6-(2-phenylethynyl)-5-(5-phenyl-3-pyridinyl)-2-pyridinyl]propanamide
SMILESCNC(C)C(=O)Nc1ccc(-c2cncc(-c3ccccc3)c2)c(C#Cc2ccccc2)n1
InChIInChI=1S/C28H24N4O/c1-20(29-2)28(33)32-27-16-14-25(26(31-27)15-13-21-9-5-3-6-10-21)24-17-23(18-30-19-24)22-11-7-4-8-12-22/h3-12,14,16-20,29H,1-2H3,(H,31,32,33)
InChIKeyNMGZWYJSWWBGKU-UHFFFAOYSA-N
XLogP4.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[6-(2-phenylethynyl)-5-(5-phenyl-3-pyridinyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-(methylamino)-N-[6-(2-phenylethynyl)-5-(5-phenyl-3-pyridinyl)-2-pyridinyl]propanamide (CID 71714901) is 2-(methylamino)-N-[6-(2-phenylethynyl)-5-(5-phenyl-3-pyridinyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(methylamino)-N-[6-(2-phenylethynyl)-5-(5-phenyl-3-pyridinyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-(methylamino)-N-[6-(2-phenylethynyl)-5-(5-phenyl-3-pyridinyl)-2-pyridinyl]propanamide is CNC(C)C(=O)Nc1ccc(-c2cncc(-c3ccccc3)c2)c(C#Cc2ccccc2)n1.
What is the InChIKey of 2-(methylamino)-N-[6-(2-phenylethynyl)-5-(5-phenyl-3-pyridinyl)-2-pyridinyl]propanamide?
The InChIKey is NMGZWYJSWWBGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O/c1-20(29-2)28(33)32-27-16-14-25(26(31-27)15-13-21-9-5-3-6-10-21)24-17-23(18-30-19-24)22-11-7-4-8-12-22/h3-12,14,16-20,29H,1-2H3,(H,31,32,33).
What are the key properties of 2-(methylamino)-N-[6-(2-phenylethynyl)-5-(5-phenyl-3-pyridinyl)-2-pyridinyl]propanamide?
2-(methylamino)-N-[6-(2-phenylethynyl)-5-(5-phenyl-3-pyridinyl)-2-pyridinyl]propanamide has a molecular weight of 432.53 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[6-(2-phenylethynyl)-5-(5-phenyl-3-pyridinyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 71714901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).