N-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride

C14H23Cl2N3O — CID 119573018

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride
SMILESCC(C(=O)NC(C)(CN)C1CC1)c1cccnc1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-10(11-4-3-7-16-8-11)13(18)17-14(2,9-15)12-5-6-12;;/h3-4,7-8,10,12H,5-6,9,15H2,1-2H3,(H,17,18);2*1H
InChIKeyKPMIITJAJIDQQB-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.27
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride (PubChem CID 119573018) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride
PubChem CID119573018
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride
SMILESCC(C(=O)NC(C)(CN)C1CC1)c1cccnc1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-10(11-4-3-7-16-8-11)13(18)17-14(2,9-15)12-5-6-12;;/h3-4,7-8,10,12H,5-6,9,15H2,1-2H3,(H,17,18);2*1H
InChIKeyKPMIITJAJIDQQB-UHFFFAOYSA-N
XLogP2.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride
CID 119569353
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119572860
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119572861
2-pyridin-3-ylpropanehydrazide
CID 116843938
4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid
CID 119357185
N-(4-aminocyclohexyl)-2-pyridin-3-ylpropanamide
CID 119475339
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119574924
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyclopropylpropanamide;hydrochloride
CID 119573506
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 119574218
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide
CID 81486883
2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride
CID 119572644
N-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride
CID 119460803

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride (CID 119573018) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride is CC(C(=O)NC(C)(CN)C1CC1)c1cccnc1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride?
The InChIKey is KPMIITJAJIDQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c1-10(11-4-3-7-16-8-11)13(18)17-14(2,9-15)12-5-6-12;;/h3-4,7-8,10,12H,5-6,9,15H2,1-2H3,(H,17,18);2*1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119573018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).