1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide

C20H23N5O2 — CID 55865350

IUPAC1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide
SMILESCN1CC(=O)Nc2cc(C(=O)NCc3ccc(N4CCCC4)nc3)ccc21
InChIInChI=1S/C20H23N5O2/c1-24-13-19(26)23-16-10-15(5-6-17(16)24)20(27)22-12-14-4-7-18(21-11-14)25-8-2-3-9-25/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,22,27)(H,23,26)
InChIKeyVHJJOLBJFDSZMG-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.00
Rot. Bonds4

About 1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide

1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 55865350) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID55865350
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide
SMILESCN1CC(=O)Nc2cc(C(=O)NCc3ccc(N4CCCC4)nc3)ccc21
InChIInChI=1S/C20H23N5O2/c1-24-13-19(26)23-16-10-15(5-6-17(16)24)20(27)22-12-14-4-7-18(21-11-14)25-8-2-3-9-25/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,22,27)(H,23,26)
InChIKeyVHJJOLBJFDSZMG-UHFFFAOYSA-N
XLogP2.00
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide with MolForge

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 47043399
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
3-methyl-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 38529623
4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528100
4-methyl-3-nitro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37482686
4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735122
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-bromobenzamide
CID 71842550
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
CID 31007703
2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528042
N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 47050699

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of 1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide (CID 55865350) is 1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for 1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for 1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide is CN1CC(=O)Nc2cc(C(=O)NCc3ccc(N4CCCC4)nc3)ccc21.
What is the InChIKey of 1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is VHJJOLBJFDSZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-24-13-19(26)23-16-10-15(5-6-17(16)24)20(27)22-12-14-4-7-18(21-11-14)25-8-2-3-9-25/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,22,27)(H,23,26).
What are the key properties of 1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide?
1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 55865350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).