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

C22H23ClN4O — CID 142792417

IUPAC2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
SMILESNC(=O)C(CCc1cccnc1)(NCCc1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C22H23ClN4O/c23-20-7-1-6-19(14-20)22(21(24)28,10-8-17-4-2-11-25-15-17)27-13-9-18-5-3-12-26-16-18/h1-7,11-12,14-16,27H,8-10,13H2,(H2,24,28)
InChIKeyLIUUJRNYRYPWCB-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.28
Rot. Bonds9

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

2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide (PubChem CID 142792417) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
PubChem CID142792417
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
SMILESNC(=O)C(CCc1cccnc1)(NCCc1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C22H23ClN4O/c23-20-7-1-6-19(14-20)22(21(24)28,10-8-17-4-2-11-25-15-17)27-13-9-18-5-3-12-26-16-18/h1-7,11-12,14-16,27H,8-10,13H2,(H2,24,28)
InChIKeyLIUUJRNYRYPWCB-UHFFFAOYSA-N
XLogP3.28
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxyphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792328
2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792683
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-(2,3-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142791977
2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142791942
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142791981
2-(3-hydroxyphenyl)-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792292
2-(4-chlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792052
2-(2,3-dimethylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792570
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-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide?
The IUPAC name of 2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide (CID 142792417) is 2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide?
The canonical SMILES for 2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide is NC(=O)C(CCc1cccnc1)(NCCc1cccnc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide?
The InChIKey is LIUUJRNYRYPWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c23-20-7-1-6-19(14-20)22(21(24)28,10-8-17-4-2-11-25-15-17)27-13-9-18-5-3-12-26-16-18/h1-7,11-12,14-16,27H,8-10,13H2,(H2,24,28).
What are the key properties of 2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide?
2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide has a molecular weight of 394.91 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide is sourced from PubChem (CID 142792417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).