3,3-dimethyl-N-pyridin-2-ylpentanamide

C12H18N2O — CID 134494130

IUPAC3,3-dimethyl-N-pyridin-2-ylpentanamide
SMILESCCC(C)(C)CC(=O)Nc1ccccn1
InChIInChI=1S/C12H18N2O/c1-4-12(2,3)9-11(15)14-10-7-5-6-8-13-10/h5-8H,4,9H2,1-3H3,(H,13,14,15)
InChIKeyRXUXQYLUQJLPJP-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.85
Rot. Bonds4

About 3,3-dimethyl-N-pyridin-2-ylpentanamide

3,3-dimethyl-N-pyridin-2-ylpentanamide (PubChem CID 134494130) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3,3-dimethyl-N-pyridin-2-ylpentanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-pyridin-2-ylpentanamide
PubChem CID134494130
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3,3-dimethyl-N-pyridin-2-ylpentanamide
SMILESCCC(C)(C)CC(=O)Nc1ccccn1
InChIInChI=1S/C12H18N2O/c1-4-12(2,3)9-11(15)14-10-7-5-6-8-13-10/h5-8H,4,9H2,1-3H3,(H,13,14,15)
InChIKeyRXUXQYLUQJLPJP-UHFFFAOYSA-N
XLogP2.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
CID 119095301
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329310
2-(pyridin-2-ylamino)propan-2-ol
CID 91613794
2-(butan-2-ylamino)-N-pyridin-2-ylacetamide
CID 60852283
methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate
CID 115174756
4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol
CID 103895878
N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide
CID 108525928

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-pyridin-2-ylpentanamide?
The IUPAC name of 3,3-dimethyl-N-pyridin-2-ylpentanamide (CID 134494130) is 3,3-dimethyl-N-pyridin-2-ylpentanamide.
What is the SMILES notation for 3,3-dimethyl-N-pyridin-2-ylpentanamide?
The canonical SMILES for 3,3-dimethyl-N-pyridin-2-ylpentanamide is CCC(C)(C)CC(=O)Nc1ccccn1.
What is the InChIKey of 3,3-dimethyl-N-pyridin-2-ylpentanamide?
The InChIKey is RXUXQYLUQJLPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-12(2,3)9-11(15)14-10-7-5-6-8-13-10/h5-8H,4,9H2,1-3H3,(H,13,14,15).
What are the key properties of 3,3-dimethyl-N-pyridin-2-ylpentanamide?
3,3-dimethyl-N-pyridin-2-ylpentanamide has a molecular weight of 206.29 g/mol, XLogP of 2.85, 4 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-2-ylpentanamide is sourced from PubChem (CID 134494130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).