3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide

C12H18N2O — CID 4634724

IUPAC3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
SMILESCC(C)(C)CC(=O)NCc1ccncc1
InChIInChI=1S/C12H18N2O/c1-12(2,3)8-11(15)14-9-10-4-6-13-7-5-10/h4-7H,8-9H2,1-3H3,(H,14,15)
InChIKeyRGBAJWHQXJLAQC-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.13
Rot. Bonds3

About 3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide

3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 4634724) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
PubChem CID4634724
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
SMILESCC(C)(C)CC(=O)NCc1ccncc1
InChIInChI=1S/C12H18N2O/c1-12(2,3)8-11(15)14-9-10-4-6-13-7-5-10/h4-7H,8-9H2,1-3H3,(H,14,15)
InChIKeyRGBAJWHQXJLAQC-UHFFFAOYSA-N
XLogP2.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide
CID 129259489
N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide
CID 60893152
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 60849701
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide
CID 154583502
N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide
CID 108940811
ethane;pyridin-4-ylmethylurea
CID 144877282
2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 88952293
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 63310818
(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61148496

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide (CID 4634724) is 3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide is CC(C)(C)CC(=O)NCc1ccncc1.
What is the InChIKey of 3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is RGBAJWHQXJLAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)8-11(15)14-9-10-4-6-13-7-5-10/h4-7H,8-9H2,1-3H3,(H,14,15).
What are the key properties of 3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide?
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 206.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 4634724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).