2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride

C16H20ClN3O — CID 120617349

IUPAC2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
SMILESCc1ccccc1CN(C)C(=O)Cc1ccc(N)cn1.Cl
InChIInChI=1S/C16H19N3O.ClH/c1-12-5-3-4-6-13(12)11-19(2)16(20)9-15-8-7-14(17)10-18-15;/h3-8,10H,9,11,17H2,1-2H3;1H
InChIKeyNVZMUEKXPHHGCM-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.60
Rot. Bonds4

About 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride

2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride (PubChem CID 120617349) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
PubChem CID120617349
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
SMILESCc1ccccc1CN(C)C(=O)Cc1ccc(N)cn1.Cl
InChIInChI=1S/C16H19N3O.ClH/c1-12-5-3-4-6-13(12)11-19(2)16(20)9-15-8-7-14(17)10-18-15;/h3-8,10H,9,11,17H2,1-2H3;1H
InChIKeyNVZMUEKXPHHGCM-UHFFFAOYSA-N
XLogP2.60
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 107337647
2-(5-amino-2-pyridinyl)-N-methyl-N-(2-methylphenyl)acetamide
CID 107338609
2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 107338553
2-(4-aminophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 61028416
2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
CID 107338022
2-(5-amino-2-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 107339049
2-(5-amino-2-pyridinyl)-N,N-diethylacetamide;hydrochloride
CID 120616165
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide
CID 107339694
2-(5-amino-2-pyridinyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 107337980
3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
5-amino-2-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxamide
CID 61359375

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride (CID 120617349) is 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride is Cc1ccccc1CN(C)C(=O)Cc1ccc(N)cn1.Cl.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride?
The InChIKey is NVZMUEKXPHHGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.ClH/c1-12-5-3-4-6-13(12)11-19(2)16(20)9-15-8-7-14(17)10-18-15;/h3-8,10H,9,11,17H2,1-2H3;1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride?
2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 120617349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).