N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

C17H18N6O2 — CID 70710603

IUPACN-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NCCc1noc(-c2ccccc2)n1)C1NCCc2[nH]cnc21
InChIInChI=1S/C17H18N6O2/c24-16(15-14-12(6-8-18-15)20-10-21-14)19-9-7-13-22-17(25-23-13)11-4-2-1-3-5-11/h1-5,10,15,18H,6-9H2,(H,19,24)(H,20,21)
InChIKeyYVPDNYAZRJITPG-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.01
Rot. Bonds5

About N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 70710603) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID70710603
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NCCc1noc(-c2ccccc2)n1)C1NCCc2[nH]cnc21
InChIInChI=1S/C17H18N6O2/c24-16(15-14-12(6-8-18-15)20-10-21-14)19-9-7-13-22-17(25-23-13)11-4-2-1-3-5-11/h1-5,10,15,18H,6-9H2,(H,19,24)(H,20,21)
InChIKeyYVPDNYAZRJITPG-UHFFFAOYSA-N
XLogP1.01
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 70710603) is N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is O=C(NCCc1noc(-c2ccccc2)n1)C1NCCc2[nH]cnc21.
What is the InChIKey of N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is YVPDNYAZRJITPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-16(15-14-12(6-8-18-15)20-10-21-14)19-9-7-13-22-17(25-23-13)11-4-2-1-3-5-11/h1-5,10,15,18H,6-9H2,(H,19,24)(H,20,21).
What are the key properties of N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 70710603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).