N-[5-(azepan-1-yl)-2-pyridinyl]propanamide

C14H21N3O — CID 39072195

IUPACN-[5-(azepan-1-yl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C14H21N3O/c1-2-14(18)16-13-8-7-12(11-15-13)17-9-5-3-4-6-10-17/h7-8,11H,2-6,9-10H2,1H3,(H,15,16,18)
InChIKeyMRTASGLAMYEZRC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.81
Rot. Bonds3

About N-[5-(azepan-1-yl)-2-pyridinyl]propanamide

N-[5-(azepan-1-yl)-2-pyridinyl]propanamide (PubChem CID 39072195) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[5-(azepan-1-yl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-(azepan-1-yl)-2-pyridinyl]propanamide
PubChem CID39072195
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[5-(azepan-1-yl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C14H21N3O/c1-2-14(18)16-13-8-7-12(11-15-13)17-9-5-3-4-6-10-17/h7-8,11H,2-6,9-10H2,1H3,(H,15,16,18)
InChIKeyMRTASGLAMYEZRC-UHFFFAOYSA-N
XLogP2.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-(azepan-1-yl)-2-pyridinyl]propanamide 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

N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]propanamide
CID 113030760
2-ethyl-N-(5-piperidin-1-yl-2-pyridinyl)butanamide
CID 113024566
(2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809238
(2S)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809239
N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029350
N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 113029557
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
2-(2-methoxyethylamino)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide;dihydrochloride
CID 119855694
N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 39072303
(2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide
CID 119855700
N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113031077
2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide
CID 112827563

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-yl)-2-pyridinyl]propanamide?
The IUPAC name of N-[5-(azepan-1-yl)-2-pyridinyl]propanamide (CID 39072195) is N-[5-(azepan-1-yl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-(azepan-1-yl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-(azepan-1-yl)-2-pyridinyl]propanamide is CCC(=O)Nc1ccc(N2CCCCCC2)cn1.
What is the InChIKey of N-[5-(azepan-1-yl)-2-pyridinyl]propanamide?
The InChIKey is MRTASGLAMYEZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-14(18)16-13-8-7-12(11-15-13)17-9-5-3-4-6-10-17/h7-8,11H,2-6,9-10H2,1H3,(H,15,16,18).
What are the key properties of N-[5-(azepan-1-yl)-2-pyridinyl]propanamide?
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide has a molecular weight of 247.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-yl)-2-pyridinyl]propanamide is sourced from PubChem (CID 39072195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).