N-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide

C24H26N4O — CID 86288474

IUPACN-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide
SMILESCc1cc(C)cc(C2=CCN(CCNC(=O)c3cnc4ccccc4n3)CC2)c1
InChIInChI=1S/C24H26N4O/c1-17-13-18(2)15-20(14-17)19-7-10-28(11-8-19)12-9-25-24(29)23-16-26-21-5-3-4-6-22(21)27-23/h3-7,13-16H,8-12H2,1-2H3,(H,25,29)
InChIKeyWWRNBRQXALOFCO-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.77
Rot. Bonds5

About N-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide

N-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide (PubChem CID 86288474) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide
PubChem CID86288474
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide
SMILESCc1cc(C)cc(C2=CCN(CCNC(=O)c3cnc4ccccc4n3)CC2)c1
InChIInChI=1S/C24H26N4O/c1-17-13-18(2)15-20(14-17)19-7-10-28(11-8-19)12-9-25-24(29)23-16-26-21-5-3-4-6-22(21)27-23/h3-7,13-16H,8-12H2,1-2H3,(H,25,29)
InChIKeyWWRNBRQXALOFCO-UHFFFAOYSA-N
XLogP3.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide (CID 86288474) is N-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide is Cc1cc(C)cc(C2=CCN(CCNC(=O)c3cnc4ccccc4n3)CC2)c1.
What is the InChIKey of N-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide?
The InChIKey is WWRNBRQXALOFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-13-18(2)15-20(14-17)19-7-10-28(11-8-19)12-9-25-24(29)23-16-26-21-5-3-4-6-22(21)27-23/h3-7,13-16H,8-12H2,1-2H3,(H,25,29).
What are the key properties of N-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide?
N-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 86288474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).