4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide

C12H19N3O2 — CID 103156393

IUPAC4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide
SMILESCOC(CN)CC(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C12H19N3O2/c1-9(11-5-3-4-6-14-11)15-12(16)7-10(8-13)17-2/h3-6,9-10H,7-8,13H2,1-2H3,(H,15,16)/t9-,10?/m0/s1
InChIKeyDFBLJUPJGUXPBG-RGURZIINSA-N
MW237.30 g/mol
LogP0.62
Rot. Bonds6

About 4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide

4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide (PubChem CID 103156393) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide
PubChem CID103156393
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide
SMILESCOC(CN)CC(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C12H19N3O2/c1-9(11-5-3-4-6-14-11)15-12(16)7-10(8-13)17-2/h3-6,9-10H,7-8,13H2,1-2H3,(H,15,16)/t9-,10?/m0/s1
InChIKeyDFBLJUPJGUXPBG-RGURZIINSA-N
XLogP0.62
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
CID 119830348
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
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-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide
CID 120597413
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120595493
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-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81406863
2-(2-hydroxyphenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 78990806

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide (CID 103156393) is 4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide is COC(CN)CC(=O)N[C@@H](C)c1ccccn1.
What is the InChIKey of 4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide?
The InChIKey is DFBLJUPJGUXPBG-RGURZIINSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(11-5-3-4-6-14-11)15-12(16)7-10(8-13)17-2/h3-6,9-10H,7-8,13H2,1-2H3,(H,15,16)/t9-,10?/m0/s1.
What are the key properties of 4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide?
4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide has a molecular weight of 237.30 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide is sourced from PubChem (CID 103156393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).