2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide

C25H30N4O — CID 142792578

IUPAC2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
SMILESCC(C)c1ccc(C(CCc2ccncc2)(NCCc2cccnc2)C(N)=O)cc1
InChIInChI=1S/C25H30N4O/c1-19(2)22-5-7-23(8-6-22)25(24(26)30,13-9-20-10-15-27-16-11-20)29-17-12-21-4-3-14-28-18-21/h3-8,10-11,14-16,18-19,29H,9,12-13,17H2,1-2H3,(H2,26,30)
InChIKeyMKHBRUUEXSIADJ-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.75
Rot. Bonds10

About 2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide

2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide (PubChem CID 142792578) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
PubChem CID142792578
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
SMILESCC(C)c1ccc(C(CCc2ccncc2)(NCCc2cccnc2)C(N)=O)cc1
InChIInChI=1S/C25H30N4O/c1-19(2)22-5-7-23(8-6-22)25(24(26)30,13-9-20-10-15-27-16-11-20)29-17-12-21-4-3-14-28-18-21/h3-8,10-11,14-16,18-19,29H,9,12-13,17H2,1-2H3,(H2,26,30)
InChIKeyMKHBRUUEXSIADJ-UHFFFAOYSA-N
XLogP3.75
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-ylphenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142791845
2-(2,6-dichlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792028
2-(2,5-dichlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792683
2-(4-chlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792052
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142791981
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-(3-chlorophenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142792417
2-(2-methylphenyl)-4-pyridin-3-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142791942
2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792470
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-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide?
The IUPAC name of 2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide (CID 142792578) is 2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide is CC(C)c1ccc(C(CCc2ccncc2)(NCCc2cccnc2)C(N)=O)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide?
The InChIKey is MKHBRUUEXSIADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-19(2)22-5-7-23(8-6-22)25(24(26)30,13-9-20-10-15-27-16-11-20)29-17-12-21-4-3-14-28-18-21/h3-8,10-11,14-16,18-19,29H,9,12-13,17H2,1-2H3,(H2,26,30).
What are the key properties of 2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide?
2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide has a molecular weight of 402.54 g/mol, XLogP of 3.75, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide is sourced from PubChem (CID 142792578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).