2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide

C23H20N4O — CID 134052696

IUPAC2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC(c3ccccc3)c3ccccn3)cc2nc1C
InChIInChI=1S/C23H20N4O/c1-15-16(2)26-21-14-18(11-12-19(21)25-15)23(28)27-22(17-8-4-3-5-9-17)20-10-6-7-13-24-20/h3-14,22H,1-2H3,(H,27,28)
InChIKeyILUNAPNRKHZJIP-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.16
Rot. Bonds4

About 2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide

2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide (PubChem CID 134052696) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
PubChem CID134052696
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC(c3ccccc3)c3ccccn3)cc2nc1C
InChIInChI=1S/C23H20N4O/c1-15-16(2)26-21-14-18(11-12-19(21)25-15)23(28)27-22(17-8-4-3-5-9-17)20-10-6-7-13-24-20/h3-14,22H,1-2H3,(H,27,28)
InChIKeyILUNAPNRKHZJIP-UHFFFAOYSA-N
XLogP4.16
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51939981
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 86851550
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
3-(carbamoylamino)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 78779505
3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 46550377
3-(methylsulfonylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 78811700
4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 134025916
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110306222
N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 78799117
2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 49318983
2-methyl-N-[phenyl(pyridin-2-yl)methyl]furan-3-carboxamide
CID 46554509

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide (CID 134052696) is 2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NC(c3ccccc3)c3ccccn3)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide?
The InChIKey is ILUNAPNRKHZJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-15-16(2)26-21-14-18(11-12-19(21)25-15)23(28)27-22(17-8-4-3-5-9-17)20-10-6-7-13-24-20/h3-14,22H,1-2H3,(H,27,28).
What are the key properties of 2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide?
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 134052696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).