3-(1-pyridin-2-ylethylamino)butanamide

C11H17N3O — CID 115572776

IUPAC3-(1-pyridin-2-ylethylamino)butanamide
SMILESCC(CC(N)=O)NC(C)c1ccccn1
InChIInChI=1S/C11H17N3O/c1-8(7-11(12)15)14-9(2)10-5-3-4-6-13-10/h3-6,8-9,14H,7H2,1-2H3,(H2,12,15)
InChIKeyJDOQFPMJZRUTFS-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.00
Rot. Bonds5

About 3-(1-pyridin-2-ylethylamino)butanamide

3-(1-pyridin-2-ylethylamino)butanamide (PubChem CID 115572776) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(1-pyridin-2-ylethylamino)butanamide.

Molecular Properties

Compound Name3-(1-pyridin-2-ylethylamino)butanamide
PubChem CID115572776
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(1-pyridin-2-ylethylamino)butanamide
SMILESCC(CC(N)=O)NC(C)c1ccccn1
InChIInChI=1S/C11H17N3O/c1-8(7-11(12)15)14-9(2)10-5-3-4-6-13-10/h3-6,8-9,14H,7H2,1-2H3,(H2,12,15)
InChIKeyJDOQFPMJZRUTFS-UHFFFAOYSA-N
XLogP1.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 107826189
N-[(1R)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81401489
3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
CID 119830348
2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide
CID 43711075
N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide
CID 81407253
3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid
CID 103258388
N-ethyl-2-(1-pyridin-2-ylethylamino)propanamide
CID 43396710
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
3-methyl-2-(1-pyridin-2-ylethylamino)butan-1-ol
CID 79253644
N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
CID 81401315
N'-hydroxy-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanimidamide
CID 81407035
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-2-ylethylamino)butanamide?
The IUPAC name of 3-(1-pyridin-2-ylethylamino)butanamide (CID 115572776) is 3-(1-pyridin-2-ylethylamino)butanamide.
What is the SMILES notation for 3-(1-pyridin-2-ylethylamino)butanamide?
The canonical SMILES for 3-(1-pyridin-2-ylethylamino)butanamide is CC(CC(N)=O)NC(C)c1ccccn1.
What is the InChIKey of 3-(1-pyridin-2-ylethylamino)butanamide?
The InChIKey is JDOQFPMJZRUTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(7-11(12)15)14-9(2)10-5-3-4-6-13-10/h3-6,8-9,14H,7H2,1-2H3,(H2,12,15).
What are the key properties of 3-(1-pyridin-2-ylethylamino)butanamide?
3-(1-pyridin-2-ylethylamino)butanamide has a molecular weight of 207.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-2-ylethylamino)butanamide is sourced from PubChem (CID 115572776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).