(2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride

C10H17Cl2N3O2 — CID 119868833

IUPAC(2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)Nc1cnccc1OC.Cl.Cl
InChIInChI=1S/C10H15N3O2.2ClH/c1-3-7(11)10(14)13-8-6-12-5-4-9(8)15-2;;/h4-7H,3,11H2,1-2H3,(H,13,14);2*1H/t7-;;/m0../s1
InChIKeyUZPCTYPNPZHLCM-KLXURFKVSA-N
MW282.17 g/mol
LogP1.61
Rot. Bonds4

About (2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride

(2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride (PubChem CID 119868833) has the molecular formula C10H17Cl2N3O2 and a molecular weight of 282.17 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride
PubChem CID119868833
Molecular FormulaC10H17Cl2N3O2
Molecular Weight282.17 g/mol
Exact Mass281.07
IUPAC Name(2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)Nc1cnccc1OC.Cl.Cl
InChIInChI=1S/C10H15N3O2.2ClH/c1-3-7(11)10(14)13-8-6-12-5-4-9(8)15-2;;/h4-7H,3,11H2,1-2H3,(H,13,14);2*1H/t7-;;/m0../s1
InChIKeyUZPCTYPNPZHLCM-KLXURFKVSA-N
XLogP1.61
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-methoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 120565135
2-amino-3-methoxy-N-(4-methyl-3-pyridinyl)propanamide
CID 81089004
N-(4-methoxy-3-pyridinyl)-3-methylbutanamide
CID 176872995
N-(4-methoxy-3-pyridinyl)pentanamide
CID 60608647
(2S)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)butanamide
CID 79024477
2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide
CID 107594933
2-[[(2S)-2-aminobutanoyl]amino]-4,5-dimethoxybenzamide
CID 119307644
2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]butanamide;hydrochloride
CID 66929609
(2R)-2-amino-N-isoquinolin-5-ylpentanamide
CID 107568420
(2S)-2-amino-N-(6-methoxy-3-pyridinyl)butanamide
CID 79025042
3-amino-4-[(4-methyl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 64894990
(2S)-2-amino-4-methyl-N-(4-methyl-3-pyridinyl)pentanamide
CID 63327835

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride (CID 119868833) is (2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride is CC[C@H](N)C(=O)Nc1cnccc1OC.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride?
The InChIKey is UZPCTYPNPZHLCM-KLXURFKVSA-N. The full InChI is InChI=1S/C10H15N3O2.2ClH/c1-3-7(11)10(14)13-8-6-12-5-4-9(8)15-2;;/h4-7H,3,11H2,1-2H3,(H,13,14);2*1H/t7-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride?
(2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride has a molecular weight of 282.17 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride is sourced from PubChem (CID 119868833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).