N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride

C11H19Cl2N3O2 — CID 119384241

IUPACN-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride
SMILESCC(C)Oc1cccnc1C(=O)NCCN.Cl.Cl
InChIInChI=1S/C11H17N3O2.2ClH/c1-8(2)16-9-4-3-6-13-10(9)11(15)14-7-5-12;;/h3-4,6,8H,5,7,12H2,1-2H3,(H,14,15);2*1H
InChIKeyBIGYNQDKCOBMJI-UHFFFAOYSA-N
MW296.20 g/mol
LogP1.40
Rot. Bonds5

About N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride

N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride (PubChem CID 119384241) has the molecular formula C11H19Cl2N3O2 and a molecular weight of 296.20 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride
PubChem CID119384241
Molecular FormulaC11H19Cl2N3O2
Molecular Weight296.20 g/mol
Exact Mass295.09
IUPAC NameN-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride
SMILESCC(C)Oc1cccnc1C(=O)NCCN.Cl.Cl
InChIInChI=1S/C11H17N3O2.2ClH/c1-8(2)16-9-4-3-6-13-10(9)11(15)14-7-5-12;;/h3-4,6,8H,5,7,12H2,1-2H3,(H,14,15);2*1H
InChIKeyBIGYNQDKCOBMJI-UHFFFAOYSA-N
XLogP1.40
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide
CID 119548878
3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 119362663
(2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid
CID 120615460
2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120525138
2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120700865
N-[2-(aminomethyl)cyclopentyl]-3-propan-2-yloxypyridine-2-carboxamide
CID 119603508
N-(3-amino-4-methylpentyl)-N-methyl-3-propan-2-yloxypyridine-2-carboxamide
CID 119659840
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride
CID 120888008
2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120533126
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone;dihydrochloride
CID 120806144
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride (CID 119384241) is N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride is CC(C)Oc1cccnc1C(=O)NCCN.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride?
The InChIKey is BIGYNQDKCOBMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2.2ClH/c1-8(2)16-9-4-3-6-13-10(9)11(15)14-7-5-12;;/h3-4,6,8H,5,7,12H2,1-2H3,(H,14,15);2*1H.
What are the key properties of N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride?
N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride has a molecular weight of 296.20 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119384241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).