2-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide

C28H28N4O — CID 67309244

IUPAC2-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4ccc(N(C)C)nc4)c3)cc2)ccn1
InChIInChI=1S/C28H28N4O/c1-19-16-24(14-15-29-19)21-8-11-26(12-9-21)31-28(33)20(2)22-6-5-7-23(17-22)25-10-13-27(30-18-25)32(3)4/h5-18,20H,1-4H3,(H,31,33)
InChIKeyZKBNVIWTKTWADM-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.93
Rot. Bonds6

About 2-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide

2-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (PubChem CID 67309244) has the molecular formula C28H28N4O and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
PubChem CID67309244
Molecular FormulaC28H28N4O
Molecular Weight436.56 g/mol
Exact Mass436.23
IUPAC Name2-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4ccc(N(C)C)nc4)c3)cc2)ccn1
InChIInChI=1S/C28H28N4O/c1-19-16-24(14-15-29-19)21-8-11-26(12-9-21)31-28(33)20(2)22-6-5-7-23(17-22)25-10-13-27(30-18-25)32(3)4/h5-18,20H,1-4H3,(H,31,33)
InChIKeyZKBNVIWTKTWADM-UHFFFAOYSA-N
XLogP5.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The IUPAC name of 2-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (CID 67309244) is 2-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.
What is the SMILES notation for 2-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The canonical SMILES for 2-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is Cc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4ccc(N(C)C)nc4)c3)cc2)ccn1.
What is the InChIKey of 2-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The InChIKey is ZKBNVIWTKTWADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O/c1-19-16-24(14-15-29-19)21-8-11-26(12-9-21)31-28(33)20(2)22-6-5-7-23(17-22)25-10-13-27(30-18-25)32(3)4/h5-18,20H,1-4H3,(H,31,33).
What are the key properties of 2-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
2-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide has a molecular weight of 436.56 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is sourced from PubChem (CID 67309244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).