4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide

C12H19N3O — CID 81075299

IUPAC4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide
SMILESCC(CN)CC(=O)NCCc1cccnc1
InChIInChI=1S/C12H19N3O/c1-10(8-13)7-12(16)15-6-4-11-3-2-5-14-9-11/h2-3,5,9-10H,4,6-8,13H2,1H3,(H,15,16)
InChIKeyDGTKZGKMNMSASZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.73
Rot. Bonds6

About 4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide

4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide (PubChem CID 81075299) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide
PubChem CID81075299
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide
SMILESCC(CN)CC(=O)NCCc1cccnc1
InChIInChI=1S/C12H19N3O/c1-10(8-13)7-12(16)15-6-4-11-3-2-5-14-9-11/h2-3,5,9-10H,4,6-8,13H2,1H3,(H,15,16)
InChIKeyDGTKZGKMNMSASZ-UHFFFAOYSA-N
XLogP0.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methyl-N-(2-phenylethyl)butanamide
CID 81070116
3-methyl-N-(4-pyridin-3-ylbutyl)butanamide
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4-amino-3-methyl-N-pyridin-3-ylbutanamide
CID 81070233
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916
7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride
CID 119842426
2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
CID 112605093
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81404984
ethyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 60730072
2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide
CID 60895368
(2R)-2-amino-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide
CID 61177946
N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide
CID 81486896

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide (CID 81075299) is 4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide is CC(CN)CC(=O)NCCc1cccnc1.
What is the InChIKey of 4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide?
The InChIKey is DGTKZGKMNMSASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(8-13)7-12(16)15-6-4-11-3-2-5-14-9-11/h2-3,5,9-10H,4,6-8,13H2,1H3,(H,15,16).
What are the key properties of 4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide?
4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide has a molecular weight of 221.30 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide is sourced from PubChem (CID 81075299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).