3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride

C11H19Cl2N3O — CID 119830348

IUPAC3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
SMILESCC(N)CC(=O)NC(C)c1ccccn1.Cl.Cl
InChIInChI=1S/C11H17N3O.2ClH/c1-8(12)7-11(15)14-9(2)10-5-3-4-6-13-10;;/h3-6,8-9H,7,12H2,1-2H3,(H,14,15);2*1H
InChIKeyQBKHDMKFUDTXPB-UHFFFAOYSA-N
MW280.20 g/mol
LogP1.84
Rot. Bonds4

About 3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride

3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride (PubChem CID 119830348) has the molecular formula C11H19Cl2N3O and a molecular weight of 280.20 g/mol. Its IUPAC name is 3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
PubChem CID119830348
Molecular FormulaC11H19Cl2N3O
Molecular Weight280.20 g/mol
Exact Mass279.09
IUPAC Name3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
SMILESCC(N)CC(=O)NC(C)c1ccccn1.Cl.Cl
InChIInChI=1S/C11H17N3O.2ClH/c1-8(12)7-11(15)14-9(2)10-5-3-4-6-13-10;;/h3-6,8-9H,7,12H2,1-2H3,(H,14,15);2*1H
InChIKeyQBKHDMKFUDTXPB-UHFFFAOYSA-N
XLogP1.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
3-methyl-5-oxo-5-[[(1S)-1-pyridin-2-ylethyl]amino]pentanoic acid
CID 81399842
4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide
CID 103156393
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81406863
2-(2-hydroxyphenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 78990806
(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide
CID 79024975
2-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337547

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride (CID 119830348) is 3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride is CC(N)CC(=O)NC(C)c1ccccn1.Cl.Cl.
What is the InChIKey of 3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride?
The InChIKey is QBKHDMKFUDTXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.2ClH/c1-8(12)7-11(15)14-9(2)10-5-3-4-6-13-10;;/h3-6,8-9H,7,12H2,1-2H3,(H,14,15);2*1H.
What are the key properties of 3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride?
3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride has a molecular weight of 280.20 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride is sourced from PubChem (CID 119830348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).