4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide

C13H21N3O — CID 115157427

IUPAC4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide
SMILESCC(C)(CN)CC(=O)NCCc1ccccn1
InChIInChI=1S/C13H21N3O/c1-13(2,10-14)9-12(17)16-8-6-11-5-3-4-7-15-11/h3-5,7H,6,8-10,14H2,1-2H3,(H,16,17)
InChIKeyOWWAGCPPGCTDAV-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.12
Rot. Bonds6

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

4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide (PubChem CID 115157427) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide
PubChem CID115157427
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide
SMILESCC(C)(CN)CC(=O)NCCc1ccccn1
InChIInChI=1S/C13H21N3O/c1-13(2,10-14)9-12(17)16-8-6-11-5-3-4-7-15-11/h3-5,7H,6,8-10,14H2,1-2H3,(H,16,17)
InChIKeyOWWAGCPPGCTDAV-UHFFFAOYSA-N
XLogP1.12
TPSA68.01 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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea
CID 91316949
2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163
2-amino-2-methyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 60846982
3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
CID 126840803
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
2-(2,6-dimethylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 29292137
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
CID 111032170
ethyl 3,3-dimethyl-2-(2-pyridin-2-ylethylcarbamoyl)butanoate
CID 116537643

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide?
The IUPAC name of 4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide (CID 115157427) is 4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide.
What is the SMILES notation for 4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide?
The canonical SMILES for 4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide is CC(C)(CN)CC(=O)NCCc1ccccn1.
What is the InChIKey of 4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide?
The InChIKey is OWWAGCPPGCTDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,10-14)9-12(17)16-8-6-11-5-3-4-7-15-11/h3-5,7H,6,8-10,14H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide?
4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide has a molecular weight of 235.33 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide is sourced from PubChem (CID 115157427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).