N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide

C16H25N3O2 — CID 63871143

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide
SMILESNC1CCC(OCCCNC(=O)Cc2ccncc2)CC1
InChIInChI=1S/C16H25N3O2/c17-14-2-4-15(5-3-14)21-11-1-8-19-16(20)12-13-6-9-18-10-7-13/h6-7,9-10,14-15H,1-5,8,11-12,17H2,(H,19,20)
InChIKeyKKLZXKRULVEUIW-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.42
Rot. Bonds7

About N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide

N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide (PubChem CID 63871143) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide
PubChem CID63871143
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide
SMILESNC1CCC(OCCCNC(=O)Cc2ccncc2)CC1
InChIInChI=1S/C16H25N3O2/c17-14-2-4-15(5-3-14)21-11-1-8-19-16(20)12-13-6-9-18-10-7-13/h6-7,9-10,14-15H,1-5,8,11-12,17H2,(H,19,20)
InChIKeyKKLZXKRULVEUIW-UHFFFAOYSA-N
XLogP1.42
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide 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-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide
CID 63869983
N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide
CID 63870819
4-(3-pyridin-4-ylpropoxy)cyclohexan-1-amine
CID 62807608
N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide
CID 63871820
N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide
CID 63871144
N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide
CID 63871479
N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide
CID 103120763
N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148439
N-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949472
N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide
CID 112603398
ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate
CID 64580309
1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
CID 63870768

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide (CID 63871143) is N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide is NC1CCC(OCCCNC(=O)Cc2ccncc2)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide?
The InChIKey is KKLZXKRULVEUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-14-2-4-15(5-3-14)21-11-1-8-19-16(20)12-13-6-9-18-10-7-13/h6-7,9-10,14-15H,1-5,8,11-12,17H2,(H,19,20).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide?
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide has a molecular weight of 291.39 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 63871143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).