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

C16H25N3O2 — CID 63869983

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide
SMILESNC1CCC(OCCCNC(=O)Cc2cccnc2)CC1
InChIInChI=1S/C16H25N3O2/c17-14-4-6-15(7-5-14)21-10-2-9-19-16(20)11-13-3-1-8-18-12-13/h1,3,8,12,14-15H,2,4-7,9-11,17H2,(H,19,20)
InChIKeyGWOZVYZPKDOLLZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.42
Rot. Bonds7

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

N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide (PubChem CID 63869983) 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-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide
PubChem CID63869983
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide
SMILESNC1CCC(OCCCNC(=O)Cc2cccnc2)CC1
InChIInChI=1S/C16H25N3O2/c17-14-4-6-15(7-5-14)21-10-2-9-19-16(20)11-13-3-1-8-18-12-13/h1,3,8,12,14-15H,2,4-7,9-11,17H2,(H,19,20)
InChIKeyGWOZVYZPKDOLLZ-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'}

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Related Compounds

N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide
CID 63871143
N-(2-piperidin-4-yloxyethyl)-2-pyridin-3-ylacetamide
CID 63871778
N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide
CID 63870819
N-(4-cyclopentylbutyl)-2-pyridin-3-ylacetamide
CID 71993774
N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide
CID 63871479
N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide
CID 63871144
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148439
N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide
CID 103120763
2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide
CID 65349877
2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide
CID 63869356
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide (CID 63869983) is N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide is NC1CCC(OCCCNC(=O)Cc2cccnc2)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide?
The InChIKey is GWOZVYZPKDOLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-14-4-6-15(7-5-14)21-10-2-9-19-16(20)11-13-3-1-8-18-12-13/h1,3,8,12,14-15H,2,4-7,9-11,17H2,(H,19,20).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide?
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-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-3-ylacetamide is sourced from PubChem (CID 63869983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).