2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide

C14H21N3O — CID 106934997

IUPAC2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide
SMILESCN(C(=O)CC1(N)CCCCC1)c1ccncc1
InChIInChI=1S/C14H21N3O/c1-17(12-5-9-16-10-6-12)13(18)11-14(15)7-3-2-4-8-14/h5-6,9-10H,2-4,7-8,11,15H2,1H3
InChIKeyXFRPHUIMJDSADG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.10
Rot. Bonds3

About 2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide

2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide (PubChem CID 106934997) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide
PubChem CID106934997
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide
SMILESCN(C(=O)CC1(N)CCCCC1)c1ccncc1
InChIInChI=1S/C14H21N3O/c1-17(12-5-9-16-10-6-12)13(18)11-14(15)7-3-2-4-8-14/h5-6,9-10H,2-4,7-8,11,15H2,1H3
InChIKeyXFRPHUIMJDSADG-UHFFFAOYSA-N
XLogP2.10
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cotinine
CID 854019
Disopyramide
CID 3114
Norcotinine
CID 413
(+-)-Cotinine
CID 408
Ximelegatran
CID 448042
Vamicamide
CID 65967
N-(4-pyridyl)benzamide
CID 78893
alpha-(2-(Bis(1-methylethyl)amino)ethyl)-alpha-(2-methylpropyl)-2-pyridineacetamide
CID 65847
N-(2-(Pyridin-2-yl)ethyl)-3-p-menthanecarboxamide
CID 56969824
Disopyramide, (R)-
CID 156294
R-(+)-Cotinine
CID 21907
4-Methyl-N-4-pyridinylbenzamide
CID 84517

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide (CID 106934997) is 2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide is CN(C(=O)CC1(N)CCCCC1)c1ccncc1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide?
The InChIKey is XFRPHUIMJDSADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(12-5-9-16-10-6-12)13(18)11-14(15)7-3-2-4-8-14/h5-6,9-10H,2-4,7-8,11,15H2,1H3.
What are the key properties of 2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide?
2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide has a molecular weight of 247.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide is sourced from PubChem (CID 106934997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).