2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride

C12H21Cl2N3O — CID 119832869

IUPAC2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccnc(C)c1.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-4-8(2)11(13)12(16)15-10-5-6-14-9(3)7-10;;/h5-8,11H,4,13H2,1-3H3,(H,14,15,16);2*1H
InChIKeyZFWBYBWUYIJVCO-UHFFFAOYSA-N
MW294.23 g/mol
LogP2.55
Rot. Bonds4

About 2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride

2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride (PubChem CID 119832869) has the molecular formula C12H21Cl2N3O and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
PubChem CID119832869
Molecular FormulaC12H21Cl2N3O
Molecular Weight294.23 g/mol
Exact Mass293.11
IUPAC Name2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccnc(C)c1.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-4-8(2)11(13)12(16)15-10-5-6-14-9(3)7-10;;/h5-8,11H,4,13H2,1-3H3,(H,14,15,16);2*1H
InChIKeyZFWBYBWUYIJVCO-UHFFFAOYSA-N
XLogP2.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2R)-2-hydroxy-N-(2-methyl-4-pyridinyl)propanamide
CID 131207206
2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride
CID 119790178
2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 76892276
(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 61148599
2-amino-3-methyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pentanamide
CID 119809300
4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 120564262
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide
CID 103930161
2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
CID 54862748
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3-methylpentanamide
CID 61174777
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride
CID 119768212

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride?
The IUPAC name of 2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride (CID 119832869) is 2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride is CCC(C)C(N)C(=O)Nc1ccnc(C)c1.Cl.Cl.
What is the InChIKey of 2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride?
The InChIKey is ZFWBYBWUYIJVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.2ClH/c1-4-8(2)11(13)12(16)15-10-5-6-14-9(3)7-10;;/h5-8,11H,4,13H2,1-3H3,(H,14,15,16);2*1H.
What are the key properties of 2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride?
2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride has a molecular weight of 294.23 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride is sourced from PubChem (CID 119832869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).