2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide

C22H22Cl2N4O — CID 142792683

IUPAC2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
SMILESNC(=O)C(CCc1cccnc1)(NCCc1ccncc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H22Cl2N4O/c23-18-3-4-20(24)19(14-18)22(21(25)29,9-5-17-2-1-10-27-15-17)28-13-8-16-6-11-26-12-7-16/h1-4,6-7,10-12,14-15,28H,5,8-9,13H2,(H2,25,29)
InChIKeyROGVWHXHCVWICU-UHFFFAOYSA-N
MW429.35 g/mol
LogP3.93
Rot. Bonds9

About 2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide

2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide (PubChem CID 142792683) has the molecular formula C22H22Cl2N4O and a molecular weight of 429.35 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
PubChem CID142792683
Molecular FormulaC22H22Cl2N4O
Molecular Weight429.35 g/mol
Exact Mass428.12
IUPAC Name2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
SMILESNC(=O)C(CCc1cccnc1)(NCCc1ccncc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H22Cl2N4O/c23-18-3-4-20(24)19(14-18)22(21(25)29,9-5-17-2-1-10-27-15-17)28-13-8-16-6-11-26-12-7-16/h1-4,6-7,10-12,14-15,28H,5,8-9,13H2,(H2,25,29)
InChIKeyROGVWHXHCVWICU-UHFFFAOYSA-N
XLogP3.93
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142791977
2-(2,6-dichlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792028
2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792417
2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792578
2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792570
2-(4-propan-2-ylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142791845
2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142791942
2-(4-chlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792052
2-(2,6-dichlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142791944
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142791981
2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792328
2-(3-hydroxyphenyl)-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792292

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide?
The IUPAC name of 2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide (CID 142792683) is 2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide is NC(=O)C(CCc1cccnc1)(NCCc1ccncc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide?
The InChIKey is ROGVWHXHCVWICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O/c23-18-3-4-20(24)19(14-18)22(21(25)29,9-5-17-2-1-10-27-15-17)28-13-8-16-6-11-26-12-7-16/h1-4,6-7,10-12,14-15,28H,5,8-9,13H2,(H2,25,29).
What are the key properties of 2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide?
2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide has a molecular weight of 429.35 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide is sourced from PubChem (CID 142792683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).