5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

C18H17N5O2 — CID 97033036

IUPAC5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC[C@H]1CCc2ccccc2N1)c1noc(-c2cccnc2)n1
InChIInChI=1S/C18H17N5O2/c24-17(16-22-18(25-23-16)13-5-3-9-19-10-13)20-11-14-8-7-12-4-1-2-6-15(12)21-14/h1-6,9-10,14,21H,7-8,11H2,(H,20,24)/t14-/m1/s1
InChIKeyDQFDZPAATPHFSI-CQSZACIVSA-N
MW335.37 g/mol
LogP2.29
Rot. Bonds4

About 5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 97033036) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID97033036
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC[C@H]1CCc2ccccc2N1)c1noc(-c2cccnc2)n1
InChIInChI=1S/C18H17N5O2/c24-17(16-22-18(25-23-16)13-5-3-9-19-10-13)20-11-14-8-7-12-4-1-2-6-15(12)21-14/h1-6,9-10,14,21H,7-8,11H2,(H,20,24)/t14-/m1/s1
InChIKeyDQFDZPAATPHFSI-CQSZACIVSA-N
XLogP2.29
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide with MolForge

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Related Compounds

N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 110732294
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide
CID 95789189
1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea
CID 95146009
1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
CID 46208985
(2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate
CID 143997720
5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 127266585
5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
CID 166208942
3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 91917678
5-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895864
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;but-2-enedioic acid
CID 67703873
5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97429668
N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-2-pyridin-3-ylacetamide
CID 131913778

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 97033036) is 5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is O=C(NC[C@H]1CCc2ccccc2N1)c1noc(-c2cccnc2)n1.
What is the InChIKey of 5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is DQFDZPAATPHFSI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-17(16-22-18(25-23-16)13-5-3-9-19-10-13)20-11-14-8-7-12-4-1-2-6-15(12)21-14/h1-6,9-10,14,21H,7-8,11H2,(H,20,24)/t14-/m1/s1.
What are the key properties of 5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 97033036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).