4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride

C12H21Cl2N3O — CID 120564208

IUPAC4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NC(C)c1ccccn1.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-9(13)6-7-12(16)15-10(2)11-5-3-4-8-14-11;;/h3-5,8-10H,6-7,13H2,1-2H3,(H,15,16);2*1H
InChIKeyMLJSLKCRZNJNIJ-UHFFFAOYSA-N
MW294.23 g/mol
LogP2.23
Rot. Bonds5

About 4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride

4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride (PubChem CID 120564208) has the molecular formula C12H21Cl2N3O and a molecular weight of 294.23 g/mol. Its IUPAC name is 4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
PubChem CID120564208
Molecular FormulaC12H21Cl2N3O
Molecular Weight294.23 g/mol
Exact Mass293.11
IUPAC Name4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NC(C)c1ccccn1.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-9(13)6-7-12(16)15-10(2)11-5-3-4-8-14-11;;/h3-5,8-10H,6-7,13H2,1-2H3,(H,15,16);2*1H
InChIKeyMLJSLKCRZNJNIJ-UHFFFAOYSA-N
XLogP2.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
CID 119830348
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81406863
2-amino-N-(1-pyridin-2-ylethyl)pentanamide
CID 43650304
(2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 107570243
3-methyl-5-oxo-5-[[(1S)-1-pyridin-2-ylethyl]amino]pentanoic acid
CID 81399842
2-(2-hydroxyphenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 78990806
(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide
CID 79024975

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride (CID 120564208) is 4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride is CC(N)CCC(=O)NC(C)c1ccccn1.Cl.Cl.
What is the InChIKey of 4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride?
The InChIKey is MLJSLKCRZNJNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.2ClH/c1-9(13)6-7-12(16)15-10(2)11-5-3-4-8-14-11;;/h3-5,8-10H,6-7,13H2,1-2H3,(H,15,16);2*1H.
What are the key properties of 4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride?
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride has a molecular weight of 294.23 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride is sourced from PubChem (CID 120564208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).