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

C16H25N3O — CID 113015875

IUPACN-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C16H25N3O/c1-16(2,3)15(20)18-13-8-9-14(17-12-13)19-10-6-4-5-7-11-19/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeyZBHYJOUYUDBJLU-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.45
Rot. Bonds2

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

N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 113015875) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID113015875
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C16H25N3O/c1-16(2,3)15(20)18-13-8-9-14(17-12-13)19-10-6-4-5-7-11-19/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeyZBHYJOUYUDBJLU-UHFFFAOYSA-N
XLogP3.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 63679043
tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate
CID 113015925
2-amino-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 60848949
(2R)-2-amino-3,3-dimethyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 103928716
2,2-dimethyl-N-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]propanamide
CID 46053898
N-[6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 42857319
N-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 42856893
(2R)-2-amino-3,3-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 103928713
2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid
CID 65302404
N-[6-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 46053907
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583

Frequently Asked Questions

What is the IUPAC name of N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide (CID 113015875) is N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(N2CCCCCC2)nc1.
What is the InChIKey of N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is ZBHYJOUYUDBJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,3)15(20)18-13-8-9-14(17-12-13)19-10-6-4-5-7-11-19/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide?
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 275.40 g/mol, XLogP of 3.45, 2 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 113015875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).