N-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide

C16H20N4O — CID 107356560

IUPACN-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide
SMILESCCN(CC1CCCN1)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C16H20N4O/c1-2-20(11-12-6-5-9-17-12)16(21)15-10-18-13-7-3-4-8-14(13)19-15/h3-4,7-8,10,12,17H,2,5-6,9,11H2,1H3
InChIKeyMRDXMZIPAMNXMV-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.84
Rot. Bonds4

About N-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide

N-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide (PubChem CID 107356560) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide
PubChem CID107356560
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide
SMILESCCN(CC1CCCN1)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C16H20N4O/c1-2-20(11-12-6-5-9-17-12)16(21)15-10-18-13-7-3-4-8-14(13)19-15/h3-4,7-8,10,12,17H,2,5-6,9,11H2,1H3
InChIKeyMRDXMZIPAMNXMV-UHFFFAOYSA-N
XLogP1.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106609136
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106608884
N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106610741
N-methyl-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71642016
4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609044
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid
CID 61007107
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide
CID 106608117
5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106612024

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide?
The IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide (CID 107356560) is N-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide is CCN(CC1CCCN1)C(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide?
The InChIKey is MRDXMZIPAMNXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-20(11-12-6-5-9-17-12)16(21)15-10-18-13-7-3-4-8-14(13)19-15/h3-4,7-8,10,12,17H,2,5-6,9,11H2,1H3.
What are the key properties of N-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide?
N-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 107356560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).