2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride

C16H22Cl2N4O — CID 120640648

IUPAC2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride
SMILESCN(CCNC(=O)Cc1ccc(N)cn1)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H20N4O.2ClH/c1-20(15-5-3-2-4-6-15)10-9-18-16(21)11-14-8-7-13(17)12-19-14;;/h2-8,12H,9-11,17H2,1H3,(H,18,21);2*1H
InChIKeyRUTUGRGEEMPDND-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.30
Rot. Bonds6

About 2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride

2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride (PubChem CID 120640648) has the molecular formula C16H22Cl2N4O and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride
PubChem CID120640648
Molecular FormulaC16H22Cl2N4O
Molecular Weight357.29 g/mol
Exact Mass356.12
IUPAC Name2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride
SMILESCN(CCNC(=O)Cc1ccc(N)cn1)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H20N4O.2ClH/c1-20(15-5-3-2-4-6-15)10-9-18-16(21)11-14-8-7-13(17)12-19-14;;/h2-8,12H,9-11,17H2,1H3,(H,18,21);2*1H
InChIKeyRUTUGRGEEMPDND-UHFFFAOYSA-N
XLogP2.30
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 107337331
2-(5-amino-2-pyridinyl)-N-[3-(diethylamino)propyl]acetamide
CID 107337449
2-(5-amino-2-pyridinyl)-N-(2-methyl-2-phenylpropyl)acetamide;hydrochloride
CID 120622496
2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide
CID 107339670
2-(5-amino-2-pyridinyl)-N-(3-methoxypropyl)acetamide
CID 107337559
2-(5-amino-2-pyridinyl)-N-octylacetamide
CID 107339440
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride
CID 120612174
2-(5-amino-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 107339002
2-(5-amino-2-pyridinyl)-N-(2-cyclopropylethyl)acetamide;hydrochloride
CID 120633863
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 94476681
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 120612175
2-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)phenyl]acetamide
CID 107337820

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride (CID 120640648) is 2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride is CN(CCNC(=O)Cc1ccc(N)cn1)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride?
The InChIKey is RUTUGRGEEMPDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.2ClH/c1-20(15-5-3-2-4-6-15)10-9-18-16(21)11-14-8-7-13(17)12-19-14;;/h2-8,12H,9-11,17H2,1H3,(H,18,21);2*1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride?
2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride has a molecular weight of 357.29 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 120640648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).