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

2-(1-aminocyclopentyl)-N-methyl-N-pyridin-4-ylacetamide
CID 106935018
2-(1-aminocyclopentyl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 64684189
2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide
CID 79854733
2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107734828
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide
CID 64685662
N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide
CID 90892089
2-(1-aminocyclohexyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 64678950
4-hydroxy-N-methyl-N-pyridin-4-ylbutanamide
CID 106937601
2-(1-aminocyclopentyl)-N-cyclohexyl-N-methylacetamide
CID 64684539
2-(1-aminocyclopentyl)-N-methyl-N-propan-2-ylacetamide
CID 64684739
2-(1-aminocyclohexyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 64683581

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).