N-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide

C14H21N3O — CID 82344080

IUPACN-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide
SMILESNCc1cccnc1NC(=O)CC1CCCCC1
InChIInChI=1S/C14H21N3O/c15-10-12-7-4-8-16-14(12)17-13(18)9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10,15H2,(H,16,17,18)
InChIKeyMHMCUXUNBKVAOT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.45
Rot. Bonds4

About N-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide

N-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide (PubChem CID 82344080) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide
PubChem CID82344080
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide
SMILESNCc1cccnc1NC(=O)CC1CCCCC1
InChIInChI=1S/C14H21N3O/c15-10-12-7-4-8-16-14(12)17-13(18)9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10,15H2,(H,16,17,18)
InChIKeyMHMCUXUNBKVAOT-UHFFFAOYSA-N
XLogP2.45
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(aminomethyl)-2-pyridinyl]acetamide
CID 83618855
N-[2-(aminomethyl)phenyl]-2-cyclobutylacetamide
CID 103164982
2-cyclopentyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]acetamide
CID 60620489
N-[6-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide
CID 82343887
N-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 103943582
N-[3-(aminomethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 82344031
1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one
CID 116596015
2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone
CID 82729797
2-cyclopentyl-N-pyridin-4-ylacetamide
CID 11839759
[2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine
CID 63119826
N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide
CID 116798496
2-cyclopentyl-N-(4-methylpyrimidin-2-yl)acetamide
CID 167838726

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide?
The IUPAC name of N-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide (CID 82344080) is N-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide is NCc1cccnc1NC(=O)CC1CCCCC1.
What is the InChIKey of N-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide?
The InChIKey is MHMCUXUNBKVAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-10-12-7-4-8-16-14(12)17-13(18)9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10,15H2,(H,16,17,18).
What are the key properties of N-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide?
N-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide has a molecular weight of 247.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide is sourced from PubChem (CID 82344080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).