2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide

C26H32N4O — CID 142792605

IUPAC2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide
SMILESCC(C)(C)c1ccc(C(Cc2cccnc2)N(CCc2ccncc2)CC(N)=O)cc1
InChIInChI=1S/C26H32N4O/c1-26(2,3)23-8-6-22(7-9-23)24(17-21-5-4-13-29-18-21)30(19-25(27)31)16-12-20-10-14-28-15-11-20/h4-11,13-15,18,24H,12,16-17,19H2,1-3H3,(H2,27,31)
InChIKeyOTGOROTYXSJIJO-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.09
Rot. Bonds9

About 2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide

2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide (PubChem CID 142792605) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide.

Molecular Properties

Compound Name2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide
PubChem CID142792605
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide
SMILESCC(C)(C)c1ccc(C(Cc2cccnc2)N(CCc2ccncc2)CC(N)=O)cc1
InChIInChI=1S/C26H32N4O/c1-26(2,3)23-8-6-22(7-9-23)24(17-21-5-4-13-29-18-21)30(19-25(27)31)16-12-20-10-14-28-15-11-20/h4-11,13-15,18,24H,12,16-17,19H2,1-3H3,(H2,27,31)
InChIKeyOTGOROTYXSJIJO-UHFFFAOYSA-N
XLogP4.09
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-2-[2-pyridin-3-ylethyl(2-pyridin-4-ylethyl)amino]acetamide
CID 142792081
2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile
CID 82091574
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
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
2-pyridin-3-yl-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142792038
2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide
CID 62923105
2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide
CID 82020986
2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide
CID 142792696
1-[2-(4-tert-butylphenyl)ethyl]-1-isoquinolin-5-ylurea
CID 91562596
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide?
The IUPAC name of 2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide (CID 142792605) is 2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide.
What is the SMILES notation for 2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide?
The canonical SMILES for 2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide is CC(C)(C)c1ccc(C(Cc2cccnc2)N(CCc2ccncc2)CC(N)=O)cc1.
What is the InChIKey of 2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide?
The InChIKey is OTGOROTYXSJIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-26(2,3)23-8-6-22(7-9-23)24(17-21-5-4-13-29-18-21)30(19-25(27)31)16-12-20-10-14-28-15-11-20/h4-11,13-15,18,24H,12,16-17,19H2,1-3H3,(H2,27,31).
What are the key properties of 2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide?
2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide has a molecular weight of 416.57 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide is sourced from PubChem (CID 142792605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).