1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide

C15H21N5O — CID 81494211

IUPAC1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NCCc2nnc3ccccn23)CCCC1
InChIInChI=1S/C15H21N5O/c16-11-15(7-2-3-8-15)14(21)17-9-6-13-19-18-12-5-1-4-10-20(12)13/h1,4-5,10H,2-3,6-9,11,16H2,(H,17,21)
InChIKeyGXOBVXWPJXBJMD-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.91
Rot. Bonds5

About 1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 81494211) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID81494211
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NCCc2nnc3ccccn23)CCCC1
InChIInChI=1S/C15H21N5O/c16-11-15(7-2-3-8-15)14(21)17-9-6-13-19-18-12-5-1-4-10-20(12)13/h1,4-5,10H,2-3,6-9,11,16H2,(H,17,21)
InChIKeyGXOBVXWPJXBJMD-UHFFFAOYSA-N
XLogP0.91
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 78810305
2-[1-(pyrrol-1-ylmethyl)cyclohexyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 125432201
1-(3,4-dimethylphenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 39643764
2-(aminomethyl)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 115432348
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 61249409
1-[[[ethylamino-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570546
1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 55125841
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 64824029
4-(4-methylphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxane-4-carboxamide
CID 91947473
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
1-(cyclobutylmethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 47221589
3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 106112421

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide (CID 81494211) is 1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide is NCC1(C(=O)NCCc2nnc3ccccn23)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is GXOBVXWPJXBJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c16-11-15(7-2-3-8-15)14(21)17-9-6-13-19-18-12-5-1-4-10-20(12)13/h1,4-5,10H,2-3,6-9,11,16H2,(H,17,21).
What are the key properties of 1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 81494211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).