N-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

C22H20N6O2 — CID 166225169

IUPACN-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)NC(=O)C(C)N3C)nn1-c1cccc(C#N)c1
InChIInChI=1S/C22H20N6O2/c1-13-9-20(26-28(13)17-6-4-5-15(10-17)12-23)25-22(30)16-7-8-19-18(11-16)24-21(29)14(2)27(19)3/h4-11,14H,1-3H3,(H,24,29)(H,25,26,30)
InChIKeyNPPFUNGFZKCCMK-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.08
Rot. Bonds3

About N-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

N-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 166225169) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID166225169
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC NameN-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)NC(=O)C(C)N3C)nn1-c1cccc(C#N)c1
InChIInChI=1S/C22H20N6O2/c1-13-9-20(26-28(13)17-6-4-5-15(10-17)12-23)25-22(30)16-7-8-19-18(11-16)24-21(29)14(2)27(19)3/h4-11,14H,1-3H3,(H,24,29)(H,25,26,30)
InChIKeyNPPFUNGFZKCCMK-UHFFFAOYSA-N
XLogP3.08
TPSA103.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (CID 166225169) is N-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is Cc1cc(NC(=O)c2ccc3c(c2)NC(=O)C(C)N3C)nn1-c1cccc(C#N)c1.
What is the InChIKey of N-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is NPPFUNGFZKCCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-13-9-20(26-28(13)17-6-4-5-15(10-17)12-23)25-22(30)16-7-8-19-18(11-16)24-21(29)14(2)27(19)3/h4-11,14H,1-3H3,(H,24,29)(H,25,26,30).
What are the key properties of N-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
N-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 166225169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).