N-(2-aminophenyl)-4-[(2-methoxy-2-pyridin-3-ylpropanoyl)amino]benzamide

C22H22N4O3 — CID 68848138

IUPACN-(2-aminophenyl)-4-[(2-methoxy-2-pyridin-3-ylpropanoyl)amino]benzamide
SMILESCOC(C)(C(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1
InChIInChI=1S/C22H22N4O3/c1-22(29-2,16-6-5-13-24-14-16)21(28)25-17-11-9-15(10-12-17)20(27)26-19-8-4-3-7-18(19)23/h3-14H,23H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyMHJOBYKRXHYFKL-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.42
Rot. Bonds6

About N-(2-aminophenyl)-4-[(2-methoxy-2-pyridin-3-ylpropanoyl)amino]benzamide

N-(2-aminophenyl)-4-[(2-methoxy-2-pyridin-3-ylpropanoyl)amino]benzamide (PubChem CID 68848138) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(2-methoxy-2-pyridin-3-ylpropanoyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(2-methoxy-2-pyridin-3-ylpropanoyl)amino]benzamide
PubChem CID68848138
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-(2-aminophenyl)-4-[(2-methoxy-2-pyridin-3-ylpropanoyl)amino]benzamide
SMILESCOC(C)(C(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1
InChIInChI=1S/C22H22N4O3/c1-22(29-2,16-6-5-13-24-14-16)21(28)25-17-11-9-15(10-12-17)20(27)26-19-8-4-3-7-18(19)23/h3-14H,23H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyMHJOBYKRXHYFKL-UHFFFAOYSA-N
XLogP3.42
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide
CID 139811841
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
CID 22668144
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide
CID 59376462
N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide
CID 63063621
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine
CID 174424077
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyridin-3-ylcarbamate;sulfuric acid
CID 68850450
N-(2-aminophenyl)-4-imidazol-1-ylbenzamide
CID 110484015
N-(2-aminophenyl)-3-tert-butylbenzamide
CID 156733569

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(2-methoxy-2-pyridin-3-ylpropanoyl)amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(2-methoxy-2-pyridin-3-ylpropanoyl)amino]benzamide (CID 68848138) is N-(2-aminophenyl)-4-[(2-methoxy-2-pyridin-3-ylpropanoyl)amino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(2-methoxy-2-pyridin-3-ylpropanoyl)amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(2-methoxy-2-pyridin-3-ylpropanoyl)amino]benzamide is COC(C)(C(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(2-methoxy-2-pyridin-3-ylpropanoyl)amino]benzamide?
The InChIKey is MHJOBYKRXHYFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-22(29-2,16-6-5-13-24-14-16)21(28)25-17-11-9-15(10-12-17)20(27)26-19-8-4-3-7-18(19)23/h3-14H,23H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-(2-aminophenyl)-4-[(2-methoxy-2-pyridin-3-ylpropanoyl)amino]benzamide?
N-(2-aminophenyl)-4-[(2-methoxy-2-pyridin-3-ylpropanoyl)amino]benzamide has a molecular weight of 390.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(2-methoxy-2-pyridin-3-ylpropanoyl)amino]benzamide is sourced from PubChem (CID 68848138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).