2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride

C13H21Cl2N3O — CID 119958237

IUPAC2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
SMILESCN(Cc1cccnc1)C(=O)CNCC1CC1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-16(10-12-3-2-6-14-8-12)13(17)9-15-7-11-4-5-11;;/h2-3,6,8,11,15H,4-5,7,9-10H2,1H3;2*1H
InChIKeyJXSJOQYMVKPYBS-UHFFFAOYSA-N
MW306.24 g/mol
LogP1.88
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride

2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride (PubChem CID 119958237) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
PubChem CID119958237
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC Name2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
SMILESCN(Cc1cccnc1)C(=O)CNCC1CC1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-16(10-12-3-2-6-14-8-12)13(17)9-15-7-11-4-5-11;;/h2-3,6,8,11,15H,4-5,7,9-10H2,1H3;2*1H
InChIKeyJXSJOQYMVKPYBS-UHFFFAOYSA-N
XLogP1.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 54869938
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78986887
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424
2-(cyclopropylmethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 54869359
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide
CID 60937097
N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 110743929
2-(cyclopropylmethylamino)-N-methyl-N-(naphthalen-2-ylmethyl)acetamide
CID 60936784
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 54873442
2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 54872632

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride (CID 119958237) is 2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride is CN(Cc1cccnc1)C(=O)CNCC1CC1.Cl.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride?
The InChIKey is JXSJOQYMVKPYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.2ClH/c1-16(10-12-3-2-6-14-8-12)13(17)9-15-7-11-4-5-11;;/h2-3,6,8,11,15H,4-5,7,9-10H2,1H3;2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride has a molecular weight of 306.24 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride is sourced from PubChem (CID 119958237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).