2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide

C14H21N3O2 — CID 143591085

IUPAC2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide
SMILESCC(C)(C)C(=O)CC(N)C(=O)NCc1ccncc1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)12(18)8-11(15)13(19)17-9-10-4-6-16-7-5-10/h4-7,11H,8-9,15H2,1-3H3,(H,17,19)
InChIKeyCIYYWZIFRMSUOT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.03
Rot. Bonds5

About 2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide

2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide (PubChem CID 143591085) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide.

Molecular Properties

Compound Name2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide
PubChem CID143591085
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide
SMILESCC(C)(C)C(=O)CC(N)C(=O)NCc1ccncc1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)12(18)8-11(15)13(19)17-9-10-4-6-16-7-5-10/h4-7,11H,8-9,15H2,1-3H3,(H,17,19)
InChIKeyCIYYWZIFRMSUOT-UHFFFAOYSA-N
XLogP1.03
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61148496
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 61148298
ethane;pyridin-4-ylmethylurea
CID 144877282
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
(2S)-2,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide;ethane;molecular hydrogen
CID 143277001
2-ethyl-N-(pyridin-4-ylmethyl)hexanamide
CID 3492228
(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119707445
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
2-[[(2S)-2-amino-3-pyridin-4-ylpropanoyl]amino]-2-methylpropanoyl iodide
CID 175802703
4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119864759

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide?
The IUPAC name of 2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide (CID 143591085) is 2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide.
What is the SMILES notation for 2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide?
The canonical SMILES for 2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide is CC(C)(C)C(=O)CC(N)C(=O)NCc1ccncc1.
What is the InChIKey of 2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide?
The InChIKey is CIYYWZIFRMSUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)12(18)8-11(15)13(19)17-9-10-4-6-16-7-5-10/h4-7,11H,8-9,15H2,1-3H3,(H,17,19).
What are the key properties of 2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide?
2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide has a molecular weight of 263.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide is sourced from PubChem (CID 143591085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).