(2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide

C13H19N3O2 — CID 35511470

IUPAC(2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide
SMILESCC(=O)N[C@@H](C(=O)NCc1ccccn1)C(C)C
InChIInChI=1S/C13H19N3O2/c1-9(2)12(16-10(3)17)13(18)15-8-11-6-4-5-7-14-11/h4-7,9,12H,8H2,1-3H3,(H,15,18)(H,16,17)/t12-/m1/s1
InChIKeyKGZDKYTWEOKQGF-GFCCVEGCSA-N
MW249.31 g/mol
LogP0.86
Rot. Bonds5

About (2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide

(2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 35511470) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide
PubChem CID35511470
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide
SMILESCC(=O)N[C@@H](C(=O)NCc1ccccn1)C(C)C
InChIInChI=1S/C13H19N3O2/c1-9(2)12(16-10(3)17)13(18)15-8-11-6-4-5-7-14-11/h4-7,9,12H,8H2,1-3H3,(H,15,18)(H,16,17)/t12-/m1/s1
InChIKeyKGZDKYTWEOKQGF-GFCCVEGCSA-N
XLogP0.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]carbamate
CID 14774478
3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-2-ylmethyl)butanamide
CID 17474218
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-2-ylmethyl)butanamide
CID 9206028
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide
CID 2676862
3,5-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide
CID 40648709
(2S,3S,4S,5R)-3,4-dihydroxy-N,N'-bis[(2R)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]-2,5-bis(phenylmethoxy)hexanediamide
CID 46936794
2-(methylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 62637273
2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 17395399
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide
CID 86857583
(2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide
CID 9362383
3-methyl-2-(pyridin-2-ylmethylamino)butanamide
CID 67707485

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of (2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide (CID 35511470) is (2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide is CC(=O)N[C@@H](C(=O)NCc1ccccn1)C(C)C.
What is the InChIKey of (2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is KGZDKYTWEOKQGF-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)12(16-10(3)17)13(18)15-8-11-6-4-5-7-14-11/h4-7,9,12H,8H2,1-3H3,(H,15,18)(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide?
(2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 249.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 35511470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).