N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide

C17H27N3O — CID 71842545

IUPACN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C17H27N3O/c1-17(2,3)16(21)19-13-14-8-9-15(18-12-14)20-10-6-4-5-7-11-20/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,19,21)
InChIKeyZVUAKHUHCLBAJS-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.12
Rot. Bonds3

About N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide (PubChem CID 71842545) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
PubChem CID71842545
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C17H27N3O/c1-17(2,3)16(21)19-13-14-8-9-15(18-12-14)20-10-6-4-5-7-11-20/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,19,21)
InChIKeyZVUAKHUHCLBAJS-UHFFFAOYSA-N
XLogP3.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
1-(2,2-dimethylpropanoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 51120280
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-tert-butyl-2-methylguanidine;hydroiodide
CID 110964182
5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 51081411
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 109389753
2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide
CID 58006606

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide (CID 71842545) is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1ccc(N2CCCCCC2)nc1.
What is the InChIKey of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is ZVUAKHUHCLBAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,3)16(21)19-13-14-8-9-15(18-12-14)20-10-6-4-5-7-11-20/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,19,21).
What are the key properties of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide?
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 71842545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).