2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride

C16H27ClN4O — CID 120617410

IUPAC2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
SMILESCN(C)C1(CNC(=O)Cc2ccc(N)cn2)CCCCC1.Cl
InChIInChI=1S/C16H26N4O.ClH/c1-20(2)16(8-4-3-5-9-16)12-19-15(21)10-14-7-6-13(17)11-18-14;/h6-7,11H,3-5,8-10,12,17H2,1-2H3,(H,19,21);1H
InChIKeyMRLCTWRWHRZNQD-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.01
Rot. Bonds5

About 2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride

2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride (PubChem CID 120617410) has the molecular formula C16H27ClN4O and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
PubChem CID120617410
Molecular FormulaC16H27ClN4O
Molecular Weight326.87 g/mol
Exact Mass326.19
IUPAC Name2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
SMILESCN(C)C1(CNC(=O)Cc2ccc(N)cn2)CCCCC1.Cl
InChIInChI=1S/C16H26N4O.ClH/c1-20(2)16(8-4-3-5-9-16)12-19-15(21)10-14-7-6-13(17)11-18-14;/h6-7,11H,3-5,8-10,12,17H2,1-2H3,(H,19,21);1H
InChIKeyMRLCTWRWHRZNQD-UHFFFAOYSA-N
XLogP2.01
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]acetamide;hydrochloride
CID 120635774
1-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107339432
5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 83107440
2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide
CID 114094154
2-(5-amino-2-pyridinyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 107339008
2-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]acetamide
CID 83107877
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
CID 20995022
1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 107338192
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46408847
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 16625893
2-(5-amino-2-pyridinyl)-N-(4,4-dimethylcyclohexyl)acetamide;hydrochloride
CID 120633539
2-(5-amino-2-pyridinyl)-N-tert-butylacetamide
CID 107337327

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride (CID 120617410) is 2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride is CN(C)C1(CNC(=O)Cc2ccc(N)cn2)CCCCC1.Cl.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride?
The InChIKey is MRLCTWRWHRZNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.ClH/c1-20(2)16(8-4-3-5-9-16)12-19-15(21)10-14-7-6-13(17)11-18-14;/h6-7,11H,3-5,8-10,12,17H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride?
2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.01, 5 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-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120617410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).