3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride

C10H17Cl2N3O2 — CID 87951167

IUPAC3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride
SMILESCON(C)C(=O)CC(N)c1cccnc1.Cl.Cl
InChIInChI=1S/C10H15N3O2.2ClH/c1-13(15-2)10(14)6-9(11)8-4-3-5-12-7-8;;/h3-5,7,9H,6,11H2,1-2H3;2*1H
InChIKeyANRWRQXACVGCSD-UHFFFAOYSA-N
MW282.17 g/mol
LogP1.33
Rot. Bonds4

About 3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride

3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride (PubChem CID 87951167) has the molecular formula C10H17Cl2N3O2 and a molecular weight of 282.17 g/mol. Its IUPAC name is 3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride
PubChem CID87951167
Molecular FormulaC10H17Cl2N3O2
Molecular Weight282.17 g/mol
Exact Mass281.07
IUPAC Name3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride
SMILESCON(C)C(=O)CC(N)c1cccnc1.Cl.Cl
InChIInChI=1S/C10H15N3O2.2ClH/c1-13(15-2)10(14)6-9(11)8-4-3-5-12-7-8;;/h3-5,7,9H,6,11H2,1-2H3;2*1H
InChIKeyANRWRQXACVGCSD-UHFFFAOYSA-N
XLogP1.33
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
CID 44891224
3-amino-N',N'-dimethyl-3-pyridin-3-ylpropanehydrazide
CID 116850071
(4S)-4-amino-4-pyridin-3-ylbutan-2-one
CID 59038480
3-amino-3-pyridin-3-ylpropanamide;methanamine
CID 144589077
(1R)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine;hydrochloride
CID 171201516
2,3-dihydroxybutanedioic acid;methyl (3S)-3-amino-3-pyridin-3-ylpropanoate
CID 158321669
(1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine
CID 130868428
methyl (5S)-5-amino-5-pyridin-3-ylpentanoate
CID 52951908
3-amino-N-cyclopropyl-3-pyridin-3-ylpropanamide
CID 82077122
(4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane
CID 160853710
2-amino-2-pyridin-3-ylethanol
CID 2734590
N-methoxy-N-methyl-3-phenylbutanamide
CID 22612044

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride (CID 87951167) is 3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride is CON(C)C(=O)CC(N)c1cccnc1.Cl.Cl.
What is the InChIKey of 3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride?
The InChIKey is ANRWRQXACVGCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.2ClH/c1-13(15-2)10(14)6-9(11)8-4-3-5-12-7-8;;/h3-5,7,9H,6,11H2,1-2H3;2*1H.
What are the key properties of 3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride?
3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride has a molecular weight of 282.17 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride is sourced from PubChem (CID 87951167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).