N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

C16H20N4O — CID 43563094

IUPACN-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2cccnc2)cc1N
InChIInChI=1S/C16H20N4O/c1-12-5-6-14(8-15(12)17)19-16(21)11-20(2)10-13-4-3-7-18-9-13/h3-9H,10-11,17H2,1-2H3,(H,19,21)
InChIKeyHGHUSIVETKKIDS-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.04
Rot. Bonds5

About N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 43563094) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID43563094
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2cccnc2)cc1N
InChIInChI=1S/C16H20N4O/c1-12-5-6-14(8-15(12)17)19-16(21)11-20(2)10-13-4-3-7-18-9-13/h3-9H,10-11,17H2,1-2H3,(H,19,21)
InChIKeyHGHUSIVETKKIDS-UHFFFAOYSA-N
XLogP2.04
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.04
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-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide
CID 131897637
2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
CID 8900913
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 136607663
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 113163640
N-(3-amino-4-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43375929
2-methyl-5-(pyridin-3-ylmethyl)aniline
CID 104736835
N-(3-chloro-4-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794634
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113120459
N-(3-amino-4-methylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide
CID 63983055
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
N-(3-amino-4-methylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399667

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (CID 43563094) is N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is Cc1ccc(NC(=O)CN(C)Cc2cccnc2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is HGHUSIVETKKIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-5-6-14(8-15(12)17)19-16(21)11-20(2)10-13-4-3-7-18-9-13/h3-9H,10-11,17H2,1-2H3,(H,19,21).
What are the key properties of N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 43563094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).