N-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

C22H23N3O5 — CID 49353218

IUPACN-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)COc2cccc(NC(=O)c3ccco3)c2)c1C
InChIInChI=1S/C22H23N3O5/c1-14-11-23-18(15(2)21(14)28-3)12-24-20(26)13-30-17-7-4-6-16(10-17)25-22(27)19-8-5-9-29-19/h4-11H,12-13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyZIIUUQROLRUJJM-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.25
Rot. Bonds8

About N-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 49353218) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID49353218
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)COc2cccc(NC(=O)c3ccco3)c2)c1C
InChIInChI=1S/C22H23N3O5/c1-14-11-23-18(15(2)21(14)28-3)12-24-20(26)13-30-17-7-4-6-16(10-17)25-22(27)19-8-5-9-29-19/h4-11H,12-13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyZIIUUQROLRUJJM-UHFFFAOYSA-N
XLogP3.25
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide
CID 55616650
N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55616552
N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55868511
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119642129
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46407349
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120508274
N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46546691
N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide
CID 46408775
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 120508273
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 37026412

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 49353218) is N-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is COc1c(C)cnc(CNC(=O)COc2cccc(NC(=O)c3ccco3)c2)c1C.
What is the InChIKey of N-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is ZIIUUQROLRUJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-14-11-23-18(15(2)21(14)28-3)12-24-20(26)13-30-17-7-4-6-16(10-17)25-22(27)19-8-5-9-29-19/h4-11H,12-13H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 49353218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).