N-[5-(cyclopentylamino)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide

C17H19N5O3 — CID 110455604

IUPACN-[5-(cyclopentylamino)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide
SMILESCOc1ccc(NC2CCCC2)n2nc(NC(=O)c3ccco3)nc12
InChIInChI=1S/C17H19N5O3/c1-24-12-8-9-14(18-11-5-2-3-6-11)22-15(12)19-17(21-22)20-16(23)13-7-4-10-25-13/h4,7-11,18H,2-3,5-6H2,1H3,(H,20,21,23)
InChIKeyNPKMYIJOEMPUDG-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.94
Rot. Bonds5

About N-[5-(cyclopentylamino)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide

N-[5-(cyclopentylamino)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide (PubChem CID 110455604) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[5-(cyclopentylamino)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopentylamino)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide
PubChem CID110455604
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[5-(cyclopentylamino)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide
SMILESCOc1ccc(NC2CCCC2)n2nc(NC(=O)c3ccco3)nc12
InChIInChI=1S/C17H19N5O3/c1-24-12-8-9-14(18-11-5-2-3-6-11)22-15(12)19-17(21-22)20-16(23)13-7-4-10-25-13/h4,7-11,18H,2-3,5-6H2,1H3,(H,20,21,23)
InChIKeyNPKMYIJOEMPUDG-UHFFFAOYSA-N
XLogP2.94
TPSA93.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopentylamino)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(cyclopentylamino)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide (CID 110455604) is N-[5-(cyclopentylamino)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(cyclopentylamino)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(cyclopentylamino)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide is COc1ccc(NC2CCCC2)n2nc(NC(=O)c3ccco3)nc12.
What is the InChIKey of N-[5-(cyclopentylamino)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide?
The InChIKey is NPKMYIJOEMPUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-24-12-8-9-14(18-11-5-2-3-6-11)22-15(12)19-17(21-22)20-16(23)13-7-4-10-25-13/h4,7-11,18H,2-3,5-6H2,1H3,(H,20,21,23).
What are the key properties of N-[5-(cyclopentylamino)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide?
N-[5-(cyclopentylamino)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopentylamino)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 110455604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).