N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide

C15H12N4O — CID 2738421

IUPACN-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc2ccccc2n1
InChIInChI=1S/C15H12N4O/c20-15(18-9-11-4-3-7-16-8-11)14-10-17-12-5-1-2-6-13(12)19-14/h1-8,10H,9H2,(H,18,20)
InChIKeyDXRBOJFUNWOHCE-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.95
Rot. Bonds3

About N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide

N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide (PubChem CID 2738421) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide
PubChem CID2738421
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC NameN-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc2ccccc2n1
InChIInChI=1S/C15H12N4O/c20-15(18-9-11-4-3-7-16-8-11)14-10-17-12-5-1-2-6-13(12)19-14/h1-8,10H,9H2,(H,18,20)
InChIKeyDXRBOJFUNWOHCE-UHFFFAOYSA-N
XLogP1.95
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Quinoxaline-2-carboxamide
CID 78857
(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine
CID 24752844
N-(2-phenylethyl)quinoxaline-2-carboxamide
CID 5300647
BG-45
CID 16773791
N-(2-phenylpropyl)quinoxaline-2-carboxamide
CID 22136331
N-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-2-pyrazine carboxamide
CID 49850567
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
N-pyridin-3-ylquinoxaline-2-carboxamide
CID 3237194
N-cyclopentylquinoxaline-2-carboxamide
CID 3432949
2-((Pyridin-4-ylmethyl)amino)-N-(quinolin-3-yl)benzamide
CID 23644840
N,5,6-triphenylpyrazine-2-carboxamide
CID 10236980
N-benzylpyrazine-2-carboxamide
CID 470909

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide (CID 2738421) is N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide is O=C(NCc1cccnc1)c1cnc2ccccc2n1.
What is the InChIKey of N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide?
The InChIKey is DXRBOJFUNWOHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-15(18-9-11-4-3-7-16-8-11)14-10-17-12-5-1-2-6-13(12)19-14/h1-8,10H,9H2,(H,18,20).
What are the key properties of N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide?
N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 2738421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).