2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide

C16H23N3O2 — CID 86798605

IUPAC2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide
SMILESCC(=O)NCC(=O)NCC1(c2ccncc2)CCCCC1
InChIInChI=1S/C16H23N3O2/c1-13(20)18-11-15(21)19-12-16(7-3-2-4-8-16)14-5-9-17-10-6-14/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyPLTIDMYJVUETDY-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.54
Rot. Bonds5

About 2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide

2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 86798605) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide
PubChem CID86798605
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide
SMILESCC(=O)NCC(=O)NCC1(c2ccncc2)CCCCC1
InChIInChI=1S/C16H23N3O2/c1-13(20)18-11-15(21)19-12-16(7-3-2-4-8-16)14-5-9-17-10-6-14/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyPLTIDMYJVUETDY-UHFFFAOYSA-N
XLogP1.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 136518370
N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine
CID 80525156
N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119797524
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 60555754
3-methyl-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]but-3-enamide
CID 89205098
2-(2-methoxyethylamino)-N-[(1-phenylcyclopentyl)methyl]acetamide;hydrochloride
CID 119698187
2-(2-methoxyethylamino)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 119699125
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide
CID 110477352

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide (CID 86798605) is 2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide is CC(=O)NCC(=O)NCC1(c2ccncc2)CCCCC1.
What is the InChIKey of 2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is PLTIDMYJVUETDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(20)18-11-15(21)19-12-16(7-3-2-4-8-16)14-5-9-17-10-6-14/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide?
2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(1-pyridin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 86798605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).