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

C23H23N5O4 — CID 67535651

IUPAC4-[1-amino-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
SMILESCN(CC(N)c1ccc(C(=O)Nc2ccncc2)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H23N5O4/c1-27(22(29)14-16-2-8-20(9-3-16)28(31)32)15-21(24)17-4-6-18(7-5-17)23(30)26-19-10-12-25-13-11-19/h2-13,21H,14-15,24H2,1H3,(H,25,26,30)
InChIKeyWLHDGXFAQFUIBR-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.94
Rot. Bonds8

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

4-[1-amino-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide (PubChem CID 67535651) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 4-[1-amino-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
PubChem CID67535651
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name4-[1-amino-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
SMILESCN(CC(N)c1ccc(C(=O)Nc2ccncc2)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H23N5O4/c1-27(22(29)14-16-2-8-20(9-3-16)28(31)32)15-21(24)17-4-6-18(7-5-17)23(30)26-19-10-12-25-13-11-19/h2-13,21H,14-15,24H2,1H3,(H,25,26,30)
InChIKeyWLHDGXFAQFUIBR-UHFFFAOYSA-N
XLogP2.94
TPSA131.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536439
4-[1-amino-2-[methyl-(2-naphthalen-1-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67537423
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
N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide
CID 62332693
4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
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-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
4-[1-amino-2-[benzenesulfonyl(methyl)amino]ethyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 68668401
N-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide
CID 34215372
4-(aminomethyl)-N-(4-nitrophenyl)benzamide
CID 43426870

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide (CID 67535651) is 4-[1-amino-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide is CN(CC(N)c1ccc(C(=O)Nc2ccncc2)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-[1-amino-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The InChIKey is WLHDGXFAQFUIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-27(22(29)14-16-2-8-20(9-3-16)28(31)32)15-21(24)17-4-6-18(7-5-17)23(30)26-19-10-12-25-13-11-19/h2-13,21H,14-15,24H2,1H3,(H,25,26,30).
What are the key properties of 4-[1-amino-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide has a molecular weight of 433.47 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 67535651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).