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

C22H20F2N4O — CID 90655809

IUPACN-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide
SMILESO=C(NCCN1CC=C(c2cc(F)cc(F)c2)CC1)c1cnc2ccccc2n1
InChIInChI=1S/C22H20F2N4O/c23-17-11-16(12-18(24)13-17)15-5-8-28(9-6-15)10-7-25-22(29)21-14-26-19-3-1-2-4-20(19)27-21/h1-5,11-14H,6-10H2,(H,25,29)
InChIKeyANPCJRRUWSZGAG-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.43
Rot. Bonds5

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

N-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide (PubChem CID 90655809) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide
PubChem CID90655809
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide
SMILESO=C(NCCN1CC=C(c2cc(F)cc(F)c2)CC1)c1cnc2ccccc2n1
InChIInChI=1S/C22H20F2N4O/c23-17-11-16(12-18(24)13-17)15-5-8-28(9-6-15)10-7-25-22(29)21-14-26-19-3-1-2-4-20(19)27-21/h1-5,11-14H,6-10H2,(H,25,29)
InChIKeyANPCJRRUWSZGAG-UHFFFAOYSA-N
XLogP3.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide (CID 90655809) is N-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide is O=C(NCCN1CC=C(c2cc(F)cc(F)c2)CC1)c1cnc2ccccc2n1.
What is the InChIKey of N-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide?
The InChIKey is ANPCJRRUWSZGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c23-17-11-16(12-18(24)13-17)15-5-8-28(9-6-15)10-7-25-22(29)21-14-26-19-3-1-2-4-20(19)27-21/h1-5,11-14H,6-10H2,(H,25,29).
What are the key properties of N-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide?
N-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.43, 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-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 90655809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).