2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride

C15H26Cl2N4O — CID 119845923

IUPAC2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride
SMILESCCN(CC)c1ccc(NC(=O)CNCC2CC2)cn1.Cl.Cl
InChIInChI=1S/C15H24N4O.2ClH/c1-3-19(4-2)14-8-7-13(10-17-14)18-15(20)11-16-9-12-5-6-12;;/h7-8,10,12,16H,3-6,9,11H2,1-2H3,(H,18,20);2*1H
InChIKeyISMXGHRLMVWJPJ-UHFFFAOYSA-N
MW349.31 g/mol
LogP2.71
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride

2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride (PubChem CID 119845923) has the molecular formula C15H26Cl2N4O and a molecular weight of 349.31 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride
PubChem CID119845923
Molecular FormulaC15H26Cl2N4O
Molecular Weight349.31 g/mol
Exact Mass348.15
IUPAC Name2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride
SMILESCCN(CC)c1ccc(NC(=O)CNCC2CC2)cn1.Cl.Cl
InChIInChI=1S/C15H24N4O.2ClH/c1-3-19(4-2)14-8-7-13(10-17-14)18-15(20)11-16-9-12-5-6-12;;/h7-8,10,12,16H,3-6,9,11H2,1-2H3,(H,18,20);2*1H
InChIKeyISMXGHRLMVWJPJ-UHFFFAOYSA-N
XLogP2.71
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine
CID 43697513
N-[6-(diethylamino)-3-pyridinyl]-2-piperidin-3-ylacetamide
CID 62674526
N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide
CID 103813939
N-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide
CID 61365011
N-[6-(diethylamino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113014581
2-[1-(aminomethyl)cyclobutyl]-N-[6-(diethylamino)-3-pyridinyl]acetamide
CID 81171833
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
2-(cyclopropylmethylamino)-N-(6-imidazol-1-yl-3-pyridinyl)acetamide
CID 60867461
2-(cyclopropylmethylamino)-N-pyridin-3-ylacetamide;dihydrochloride
CID 119827153
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea
CID 51082122
1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide
CID 53499400

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride (CID 119845923) is 2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride is CCN(CC)c1ccc(NC(=O)CNCC2CC2)cn1.Cl.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride?
The InChIKey is ISMXGHRLMVWJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.2ClH/c1-3-19(4-2)14-8-7-13(10-17-14)18-15(20)11-16-9-12-5-6-12;;/h7-8,10,12,16H,3-6,9,11H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride has a molecular weight of 349.31 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride is sourced from PubChem (CID 119845923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).