4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide

C24H26N4O2 — CID 67536439

IUPAC4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
SMILESCc1ccc(CC(=O)N(C)CC(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1
InChIInChI=1S/C24H26N4O2/c1-17-3-5-18(6-4-17)15-23(29)28(2)16-22(25)19-7-9-20(10-8-19)24(30)27-21-11-13-26-14-12-21/h3-14,22H,15-16,25H2,1-2H3,(H,26,27,30)
InChIKeyNBEKELPADFFJAK-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.34
Rot. Bonds7

About 4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide

4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide (PubChem CID 67536439) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
PubChem CID67536439
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
SMILESCc1ccc(CC(=O)N(C)CC(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1
InChIInChI=1S/C24H26N4O2/c1-17-3-5-18(6-4-17)15-23(29)28(2)16-22(25)19-7-9-20(10-8-19)24(30)27-21-11-13-26-14-12-21/h3-14,22H,15-16,25H2,1-2H3,(H,26,27,30)
InChIKeyNBEKELPADFFJAK-UHFFFAOYSA-N
XLogP3.34
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-amino-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67535651
4-[1-amino-2-[methyl-(2-naphthalen-1-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67537423
4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67536660
4-[1-amino-2-[[2-(2-chloro-4-fluorophenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 67537116
4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 15983405
4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536747
4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 67537213
4-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 67535749
4-[1-amino-2-[benzenesulfonyl(methyl)amino]ethyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 68668401
4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-N-methyl-3,4-dihydro-2H-thiochromene-4-carboxamide
CID 15983522

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide (CID 67536439) is 4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide is Cc1ccc(CC(=O)N(C)CC(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1.
What is the InChIKey of 4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The InChIKey is NBEKELPADFFJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-3-5-18(6-4-17)15-23(29)28(2)16-22(25)19-7-9-20(10-8-19)24(30)27-21-11-13-26-14-12-21/h3-14,22H,15-16,25H2,1-2H3,(H,26,27,30).
What are the key properties of 4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide has a molecular weight of 402.50 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 67536439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).