N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

C15H18N4O — CID 43563126

IUPACN-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1N)Cc1cccnc1
InChIInChI=1S/C15H18N4O/c1-19(10-12-5-4-8-17-9-12)11-15(20)18-14-7-3-2-6-13(14)16/h2-9H,10-11,16H2,1H3,(H,18,20)
InChIKeyPXRSYNHTDNXNMW-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.73
Rot. Bonds5

About N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 43563126) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID43563126
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1N)Cc1cccnc1
InChIInChI=1S/C15H18N4O/c1-19(10-12-5-4-8-17-9-12)11-15(20)18-14-7-3-2-6-13(14)16/h2-9H,10-11,16H2,1H3,(H,18,20)
InChIKeyPXRSYNHTDNXNMW-UHFFFAOYSA-N
XLogP1.73
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide
CID 21483014
N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563094
N-(2-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 61438617
2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374525
N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide
CID 54884484
1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea
CID 67416886
N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 43271763
N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide
CID 131897637
N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
CID 61450643
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide
CID 113163650
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate
CID 57350010
N-(2-aminophenyl)-4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 11494562

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (CID 43563126) is N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is CN(CC(=O)Nc1ccccc1N)Cc1cccnc1.
What is the InChIKey of N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is PXRSYNHTDNXNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19(10-12-5-4-8-17-9-12)11-15(20)18-14-7-3-2-6-13(14)16/h2-9H,10-11,16H2,1H3,(H,18,20).
What are the key properties of N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 270.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 43563126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).