N-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride

C14H25Cl2N3O2 — CID 119587934

IUPACN-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride
SMILESCC(C)CC(CN)NC(=O)C(C)Oc1cccnc1.Cl.Cl
InChIInChI=1S/C14H23N3O2.2ClH/c1-10(2)7-12(8-15)17-14(18)11(3)19-13-5-4-6-16-9-13;;/h4-6,9-12H,7-8,15H2,1-3H3,(H,17,18);2*1H
InChIKeyIBBAXBUCIHJLIW-UHFFFAOYSA-N
MW338.28 g/mol
LogP2.18
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride (PubChem CID 119587934) has the molecular formula C14H25Cl2N3O2 and a molecular weight of 338.28 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride
PubChem CID119587934
Molecular FormulaC14H25Cl2N3O2
Molecular Weight338.28 g/mol
Exact Mass337.13
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride
SMILESCC(C)CC(CN)NC(=O)C(C)Oc1cccnc1.Cl.Cl
InChIInChI=1S/C14H23N3O2.2ClH/c1-10(2)7-12(8-15)17-14(18)11(3)19-13-5-4-6-16-9-13;;/h4-6,9-12H,7-8,15H2,1-3H3,(H,17,18);2*1H
InChIKeyIBBAXBUCIHJLIW-UHFFFAOYSA-N
XLogP2.18
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride
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N-[2-(methylamino)ethyl]-2-pyridin-3-yloxypropanamide
CID 119503233
N-ethyl-2-pyridin-3-yloxypropanamide
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N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide
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(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910
2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61246472
N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride (CID 119587934) is N-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride is CC(C)CC(CN)NC(=O)C(C)Oc1cccnc1.Cl.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride?
The InChIKey is IBBAXBUCIHJLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.2ClH/c1-10(2)7-12(8-15)17-14(18)11(3)19-13-5-4-6-16-9-13;;/h4-6,9-12H,7-8,15H2,1-3H3,(H,17,18);2*1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride has a molecular weight of 338.28 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride is sourced from PubChem (CID 119587934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).