3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide

C13H21N3O — CID 55206150

IUPAC3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide
SMILESCCNC(C)CC(=O)NCc1ncccc1C
InChIInChI=1S/C13H21N3O/c1-4-14-11(3)8-13(17)16-9-12-10(2)6-5-7-15-12/h5-7,11,14H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyGDRDOTFVTYAUCA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.39
Rot. Bonds6

About 3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide

3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide (PubChem CID 55206150) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide
PubChem CID55206150
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide
SMILESCCNC(C)CC(=O)NCc1ncccc1C
InChIInChI=1S/C13H21N3O/c1-4-14-11(3)8-13(17)16-9-12-10(2)6-5-7-15-12/h5-7,11,14H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyGDRDOTFVTYAUCA-UHFFFAOYSA-N
XLogP1.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700230
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide
CID 62837223
N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide
CID 63306613
1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111104369
methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760
N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869388
2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 78942030
(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide
CID 63306281
N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958341
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide
CID 82738689

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide?
The IUPAC name of 3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide (CID 55206150) is 3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide.
What is the SMILES notation for 3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide?
The canonical SMILES for 3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide is CCNC(C)CC(=O)NCc1ncccc1C.
What is the InChIKey of 3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide?
The InChIKey is GDRDOTFVTYAUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-14-11(3)8-13(17)16-9-12-10(2)6-5-7-15-12/h5-7,11,14H,4,8-9H2,1-3H3,(H,16,17).
What are the key properties of 3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide?
3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide has a molecular weight of 235.33 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide is sourced from PubChem (CID 55206150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).