2-(4-methylidenecyclohexyl)-N-pyridin-3-ylacetamide

C14H18N2O — CID 90827146

IUPAC2-(4-methylidenecyclohexyl)-N-pyridin-3-ylacetamide
SMILESC=C1CCC(CC(=O)Nc2cccnc2)CC1
InChIInChI=1S/C14H18N2O/c1-11-4-6-12(7-5-11)9-14(17)16-13-3-2-8-15-10-13/h2-3,8,10,12H,1,4-7,9H2,(H,16,17)
InChIKeyCRMPOKRAVKCQKF-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.16
Rot. Bonds3

About 2-(4-methylidenecyclohexyl)-N-pyridin-3-ylacetamide

2-(4-methylidenecyclohexyl)-N-pyridin-3-ylacetamide (PubChem CID 90827146) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(4-methylidenecyclohexyl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-methylidenecyclohexyl)-N-pyridin-3-ylacetamide
PubChem CID90827146
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(4-methylidenecyclohexyl)-N-pyridin-3-ylacetamide
SMILESC=C1CCC(CC(=O)Nc2cccnc2)CC1
InChIInChI=1S/C14H18N2O/c1-11-4-6-12(7-5-11)9-14(17)16-13-3-2-8-15-10-13/h2-3,8,10,12H,1,4-7,9H2,(H,16,17)
InChIKeyCRMPOKRAVKCQKF-UHFFFAOYSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
2-(cyclopropylmethylamino)-N-pyridin-3-ylacetamide;dihydrochloride
CID 119827153
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide
CID 119871387
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
2-cyclopropyl-N-phenylacetamide
CID 60753326
2-cyclopentyl-N-pyridin-3-ylethanethioamide
CID 142471330
2-cyclopentyl-N-pyridin-4-ylacetamide
CID 11839759
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542331
3-[[2-(cyclopropylmethoxy)acetyl]amino]-N-pyridin-3-ylpropanamide
CID 167813962
N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925756
3-(2-methylhydrazinyl)-3-oxo-N-pyridin-3-ylpropanamide
CID 129281433

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylidenecyclohexyl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(4-methylidenecyclohexyl)-N-pyridin-3-ylacetamide (CID 90827146) is 2-(4-methylidenecyclohexyl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4-methylidenecyclohexyl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4-methylidenecyclohexyl)-N-pyridin-3-ylacetamide is C=C1CCC(CC(=O)Nc2cccnc2)CC1.
What is the InChIKey of 2-(4-methylidenecyclohexyl)-N-pyridin-3-ylacetamide?
The InChIKey is CRMPOKRAVKCQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-4-6-12(7-5-11)9-14(17)16-13-3-2-8-15-10-13/h2-3,8,10,12H,1,4-7,9H2,(H,16,17).
What are the key properties of 2-(4-methylidenecyclohexyl)-N-pyridin-3-ylacetamide?
2-(4-methylidenecyclohexyl)-N-pyridin-3-ylacetamide has a molecular weight of 230.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylidenecyclohexyl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 90827146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).