3-methyl-2-(pyridin-2-ylmethylamino)butanamide

C11H17N3O — CID 67707485

IUPAC3-methyl-2-(pyridin-2-ylmethylamino)butanamide
SMILESCC(C)C(NCc1ccccn1)C(N)=O
InChIInChI=1S/C11H17N3O/c1-8(2)10(11(12)15)14-7-9-5-3-4-6-13-9/h3-6,8,10,14H,7H2,1-2H3,(H2,12,15)
InChIKeyXBCAAJSEUWCMHA-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.68
Rot. Bonds5

About 3-methyl-2-(pyridin-2-ylmethylamino)butanamide

3-methyl-2-(pyridin-2-ylmethylamino)butanamide (PubChem CID 67707485) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-methyl-2-(pyridin-2-ylmethylamino)butanamide.

Molecular Properties

Compound Name3-methyl-2-(pyridin-2-ylmethylamino)butanamide
PubChem CID67707485
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-methyl-2-(pyridin-2-ylmethylamino)butanamide
SMILESCC(C)C(NCc1ccccn1)C(N)=O
InChIInChI=1S/C11H17N3O/c1-8(2)10(11(12)15)14-7-9-5-3-4-6-13-9/h3-6,8,10,14H,7H2,1-2H3,(H2,12,15)
InChIKeyXBCAAJSEUWCMHA-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(quinolin-2-ylmethylamino)butanamide
CID 103699285
zinc;bis((2S)-2-(pyridin-2-ylmethylamino)propanoate);hydrate
CID 139144713
methyl (3S)-3-(pyridin-2-ylmethylamino)butanoate
CID 93105864
(2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 35511470
3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide
CID 103908798
(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 28618020
3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 43201494
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 115626100
methyl 3-methyl-2-[(2-pyridin-2-ylacetyl)amino]butanoate
CID 43623163
N,N,4-trimethyl-2-(pyridin-2-ylmethylamino)pentanamide
CID 43675023
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(pyridin-2-ylmethylamino)butanamide?
The IUPAC name of 3-methyl-2-(pyridin-2-ylmethylamino)butanamide (CID 67707485) is 3-methyl-2-(pyridin-2-ylmethylamino)butanamide.
What is the SMILES notation for 3-methyl-2-(pyridin-2-ylmethylamino)butanamide?
The canonical SMILES for 3-methyl-2-(pyridin-2-ylmethylamino)butanamide is CC(C)C(NCc1ccccn1)C(N)=O.
What is the InChIKey of 3-methyl-2-(pyridin-2-ylmethylamino)butanamide?
The InChIKey is XBCAAJSEUWCMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)10(11(12)15)14-7-9-5-3-4-6-13-9/h3-6,8,10,14H,7H2,1-2H3,(H2,12,15).
What are the key properties of 3-methyl-2-(pyridin-2-ylmethylamino)butanamide?
3-methyl-2-(pyridin-2-ylmethylamino)butanamide has a molecular weight of 207.28 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(pyridin-2-ylmethylamino)butanamide is sourced from PubChem (CID 67707485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).