2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide

C23H26N4O — CID 142791942

IUPAC2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
SMILESCc1ccccc1C(CCc1cccnc1)(NCCc1cccnc1)C(N)=O
InChIInChI=1S/C23H26N4O/c1-18-6-2-3-9-21(18)23(22(24)28,12-10-19-7-4-13-25-16-19)27-15-11-20-8-5-14-26-17-20/h2-9,13-14,16-17,27H,10-12,15H2,1H3,(H2,24,28)
InChIKeyFKHGBJGRHQHHQL-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.93
Rot. Bonds9

About 2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide

2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide (PubChem CID 142791942) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
PubChem CID142791942
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
SMILESCc1ccccc1C(CCc1cccnc1)(NCCc1cccnc1)C(N)=O
InChIInChI=1S/C23H26N4O/c1-18-6-2-3-9-21(18)23(22(24)28,12-10-19-7-4-13-25-16-19)27-15-11-20-8-5-14-26-17-20/h2-9,13-14,16-17,27H,10-12,15H2,1H3,(H2,24,28)
InChIKeyFKHGBJGRHQHHQL-UHFFFAOYSA-N
XLogP2.93
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792570
2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142791977
2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792683
2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792417
2-(2,6-dichlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792028
2-(4-propan-2-ylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142791845
2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792578
2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792328
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142791981
2-amino-6-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 60895526
2-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 115132207
2-(2,6-dichlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142791944

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide?
The IUPAC name of 2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide (CID 142791942) is 2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide.
What is the SMILES notation for 2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide?
The canonical SMILES for 2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide is Cc1ccccc1C(CCc1cccnc1)(NCCc1cccnc1)C(N)=O.
What is the InChIKey of 2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide?
The InChIKey is FKHGBJGRHQHHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-18-6-2-3-9-21(18)23(22(24)28,12-10-19-7-4-13-25-16-19)27-15-11-20-8-5-14-26-17-20/h2-9,13-14,16-17,27H,10-12,15H2,1H3,(H2,24,28).
What are the key properties of 2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide?
2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide has a molecular weight of 374.49 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide is sourced from PubChem (CID 142791942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).