N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide

C16H25N3O2 — CID 107148439

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1CC(=O)NCCOC1CCC(N)CC1
InChIInChI=1S/C16H25N3O2/c1-12-3-2-8-18-15(12)11-16(20)19-9-10-21-14-6-4-13(17)5-7-14/h2-3,8,13-14H,4-7,9-11,17H2,1H3,(H,19,20)
InChIKeyBLDIWSJTHCBGTK-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.34
Rot. Bonds6

About N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide

N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide (PubChem CID 107148439) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide
PubChem CID107148439
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1CC(=O)NCCOC1CCC(N)CC1
InChIInChI=1S/C16H25N3O2/c1-12-3-2-8-18-15(12)11-16(20)19-9-10-21-14-6-4-13(17)5-7-14/h2-3,8,13-14H,4-7,9-11,17H2,1H3,(H,19,20)
InChIKeyBLDIWSJTHCBGTK-UHFFFAOYSA-N
XLogP1.34
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.34
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-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide
CID 63870129
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
CID 106753638
N-[2-(2-methoxyethylamino)ethyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148548
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide
CID 63869983
N-(2-amino-2-cyclopropylethyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148527
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide
CID 63871143
N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide
CID 82871139
4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147074
2-(3-methoxy-2-pyridinyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide
CID 124738201
N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
CID 63870470
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea
CID 63869416

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide (CID 107148439) is N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide is Cc1cccnc1CC(=O)NCCOC1CCC(N)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is BLDIWSJTHCBGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-3-2-8-18-15(12)11-16(20)19-9-10-21-14-6-4-13(17)5-7-14/h2-3,8,13-14H,4-7,9-11,17H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 107148439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).