(2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride

C12H19Cl2N3O2 — CID 120800635

IUPAC(2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride
SMILESCN(C(=O)[C@@H]1CC[C@H](CN)O1)c1cccnc1.Cl.Cl
InChIInChI=1S/C12H17N3O2.2ClH/c1-15(9-3-2-6-14-8-9)12(16)11-5-4-10(7-13)17-11;;/h2-3,6,8,10-11H,4-5,7,13H2,1H3;2*1H/t10-,11+;;/m1../s1
InChIKeyIKCOSKALSHZAPE-OXPNAJOUSA-N
MW308.21 g/mol
LogP1.39
Rot. Bonds3

About (2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride

(2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride (PubChem CID 120800635) has the molecular formula C12H19Cl2N3O2 and a molecular weight of 308.21 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride
PubChem CID120800635
Molecular FormulaC12H19Cl2N3O2
Molecular Weight308.21 g/mol
Exact Mass307.09
IUPAC Name(2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride
SMILESCN(C(=O)[C@@H]1CC[C@H](CN)O1)c1cccnc1.Cl.Cl
InChIInChI=1S/C12H17N3O2.2ClH/c1-15(9-3-2-6-14-8-9)12(16)11-5-4-10(7-13)17-11;;/h2-3,6,8,10-11H,4-5,7,13H2,1H3;2*1H/t10-,11+;;/m1../s1
InChIKeyIKCOSKALSHZAPE-OXPNAJOUSA-N
XLogP1.39
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride
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(2S,5R)-5-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]oxolane-2-carboxamide
CID 120799038
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120799515
(2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride
CID 130774871
5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427235
(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120791903
(2S,5R)-5-(aminomethyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)oxolane-2-carboxamide;dihydrochloride
CID 120799083
(2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120801097
(2S,5R)-5-(aminomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120787403
(2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride
CID 120794955
(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide
CID 120800140

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride (CID 120800635) is (2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride is CN(C(=O)[C@@H]1CC[C@H](CN)O1)c1cccnc1.Cl.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride?
The InChIKey is IKCOSKALSHZAPE-OXPNAJOUSA-N. The full InChI is InChI=1S/C12H17N3O2.2ClH/c1-15(9-3-2-6-14-8-9)12(16)11-5-4-10(7-13)17-11;;/h2-3,6,8,10-11H,4-5,7,13H2,1H3;2*1H/t10-,11+;;/m1../s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride?
(2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride has a molecular weight of 308.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120800635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).