2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]imidazo[4,5-c]pyridine-7-carboxamide

C14H18N8O2 — CID 25023715

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]imidazo[4,5-c]pyridine-7-carboxamide
SMILESCCn1c(-c2nonc2N)nc2cncc(C(=O)NCCNC)c21
InChIInChI=1S/C14H18N8O2/c1-3-22-11-8(14(23)18-5-4-16-2)6-17-7-9(11)19-13(22)10-12(15)21-24-20-10/h6-7,16H,3-5H2,1-2H3,(H2,15,21)(H,18,23)
InChIKeyRIIYKHQJSKRYKG-UHFFFAOYSA-N
MW330.35 g/mol
LogP0.03
Rot. Bonds6

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]imidazo[4,5-c]pyridine-7-carboxamide

2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]imidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 25023715) has the molecular formula C14H18N8O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]imidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]imidazo[4,5-c]pyridine-7-carboxamide
PubChem CID25023715
Molecular FormulaC14H18N8O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]imidazo[4,5-c]pyridine-7-carboxamide
SMILESCCn1c(-c2nonc2N)nc2cncc(C(=O)NCCNC)c21
InChIInChI=1S/C14H18N8O2/c1-3-22-11-8(14(23)18-5-4-16-2)6-17-7-9(11)19-13(22)10-12(15)21-24-20-10/h6-7,16H,3-5H2,1-2H3,(H2,15,21)(H,18,23)
InChIKeyRIIYKHQJSKRYKG-UHFFFAOYSA-N
XLogP0.03
TPSA136.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Sdccggsk-0000248.P001
CID 16095343
4-(7-{[(3R)-3-aminopyrrolidin-1-yl]carbonyl}-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 25023716
4-[1-ethyl-7-(piperazin-1-ylcarbonyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 25023717
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(piperidin-4-yl)-1H-imidazo[4,5-c]pyridine-7-carboxamide
CID 25023719
4-(1-Ethyl-7-piperazin-1-ylmethyl-1H-imidazo[4,5-c]pyridin-2-yl)-furazan-3-ylamine
CID 44397277
N-Tert-Butyl-2-(5,6,7,8-Tetrahydroimidazo[1,5-A]pyridin-1-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71280008
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(piperidin-3-yl)-1H-imidazo[4,5-c]pyridine-7-carboxamide
CID 25023718
7-Cyclopentyl-2-({1-Methyl-5-[(4-Methylpiperazin-1-Yl)carbonyl]-1h-Pyrrol-3-Yl}amino)-7h-Pyrrolo[2,3-D]pyrimidine-6-Carboxamide
CID 57383477
[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone
CID 49831047
1-[[6-(dimethylamino)-5-methyl-pyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methyl-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 72792698
2-(3H-imidazo[4,5-c]pyridin-3-yl)-N-methoxy-7-methyl-4-((S)-1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44432179
(4-(tert-butylamino)-2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)(4-methylpiperazin-1-yl)methanone
CID 44432191

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]imidazo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]imidazo[4,5-c]pyridine-7-carboxamide (CID 25023715) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]imidazo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]imidazo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]imidazo[4,5-c]pyridine-7-carboxamide is CCn1c(-c2nonc2N)nc2cncc(C(=O)NCCNC)c21.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]imidazo[4,5-c]pyridine-7-carboxamide?
The InChIKey is RIIYKHQJSKRYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O2/c1-3-22-11-8(14(23)18-5-4-16-2)6-17-7-9(11)19-13(22)10-12(15)21-24-20-10/h6-7,16H,3-5H2,1-2H3,(H2,15,21)(H,18,23).
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]imidazo[4,5-c]pyridine-7-carboxamide?
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]imidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(methylamino)ethyl]imidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 25023715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).