3-cyclopropyl-N-(2-pyridin-3-ylethyl)quinoxaline-2-carboxamide

C19H18N4O — CID 125420088

IUPAC3-cyclopropyl-N-(2-pyridin-3-ylethyl)quinoxaline-2-carboxamide
SMILESO=C(NCCc1cccnc1)c1nc2ccccc2nc1C1CC1
InChIInChI=1S/C19H18N4O/c24-19(21-11-9-13-4-3-10-20-12-13)18-17(14-7-8-14)22-15-5-1-2-6-16(15)23-18/h1-6,10,12,14H,7-9,11H2,(H,21,24)
InChIKeyDURAMGVYUMYPTQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.87
Rot. Bonds5

About 3-cyclopropyl-N-(2-pyridin-3-ylethyl)quinoxaline-2-carboxamide

3-cyclopropyl-N-(2-pyridin-3-ylethyl)quinoxaline-2-carboxamide (PubChem CID 125420088) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2-pyridin-3-ylethyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(2-pyridin-3-ylethyl)quinoxaline-2-carboxamide
PubChem CID125420088
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name3-cyclopropyl-N-(2-pyridin-3-ylethyl)quinoxaline-2-carboxamide
SMILESO=C(NCCc1cccnc1)c1nc2ccccc2nc1C1CC1
InChIInChI=1S/C19H18N4O/c24-19(21-11-9-13-4-3-10-20-12-13)18-17(14-7-8-14)22-15-5-1-2-6-16(15)23-18/h1-6,10,12,14H,7-9,11H2,(H,21,24)
InChIKeyDURAMGVYUMYPTQ-UHFFFAOYSA-N
XLogP2.87
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
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CID 42421389
2-(cyclopentylamino)-N-(2-pyridin-3-ylethyl)acetamide
CID 60912902
3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 115161689
N-(2-pyridin-3-ylethyl)-1H-indole-2-carboxamide
CID 46921183
1-benzyl-5-pyridin-4-yl-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide
CID 86263678
4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 70717840
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylacetamide
CID 77095090
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339
2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide
CID 60895368
(2R)-2-amino-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide
CID 61177946
2-fluoro-6-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104916776

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2-pyridin-3-ylethyl)quinoxaline-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(2-pyridin-3-ylethyl)quinoxaline-2-carboxamide (CID 125420088) is 3-cyclopropyl-N-(2-pyridin-3-ylethyl)quinoxaline-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(2-pyridin-3-ylethyl)quinoxaline-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(2-pyridin-3-ylethyl)quinoxaline-2-carboxamide is O=C(NCCc1cccnc1)c1nc2ccccc2nc1C1CC1.
What is the InChIKey of 3-cyclopropyl-N-(2-pyridin-3-ylethyl)quinoxaline-2-carboxamide?
The InChIKey is DURAMGVYUMYPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(21-11-9-13-4-3-10-20-12-13)18-17(14-7-8-14)22-15-5-1-2-6-16(15)23-18/h1-6,10,12,14H,7-9,11H2,(H,21,24).
What are the key properties of 3-cyclopropyl-N-(2-pyridin-3-ylethyl)quinoxaline-2-carboxamide?
3-cyclopropyl-N-(2-pyridin-3-ylethyl)quinoxaline-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2-pyridin-3-ylethyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 125420088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).