N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide

C21H24N4O3 — CID 42499806

IUPACN-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide
SMILESC[C@H](CNC(=O)c1ccco1)Oc1cccc(CN(C)Cc2cnccn2)c1
InChIInChI=1S/C21H24N4O3/c1-16(12-24-21(26)20-7-4-10-27-20)28-19-6-3-5-17(11-19)14-25(2)15-18-13-22-8-9-23-18/h3-11,13,16H,12,14-15H2,1-2H3,(H,24,26)/t16-/m1/s1
InChIKeyAEPHCIGNVHIPIJ-MRXNPFEDSA-N
MW380.45 g/mol
LogP2.90
Rot. Bonds9

About N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide

N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide (PubChem CID 42499806) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide
PubChem CID42499806
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide
SMILESC[C@H](CNC(=O)c1ccco1)Oc1cccc(CN(C)Cc2cnccn2)c1
InChIInChI=1S/C21H24N4O3/c1-16(12-24-21(26)20-7-4-10-27-20)28-19-6-3-5-17(11-19)14-25(2)15-18-13-22-8-9-23-18/h3-11,13,16H,12,14-15H2,1-2H3,(H,24,26)/t16-/m1/s1
InChIKeyAEPHCIGNVHIPIJ-MRXNPFEDSA-N
XLogP2.90
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)furan-2-carboxamide
CID 91767312
3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide
CID 45253226
2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide
CID 42407028
4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide
CID 45174095
2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide
CID 45195426
N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide
CID 26278030
N-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide
CID 96568538
N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 118755066
N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 118758041
N-[(2R)-2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 26341394
N-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide
CID 50973884
2,5-dimethyl-N-(2-pyridin-3-yloxypropyl)furan-3-carboxamide
CID 90649337

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide (CID 42499806) is N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide is C[C@H](CNC(=O)c1ccco1)Oc1cccc(CN(C)Cc2cnccn2)c1.
What is the InChIKey of N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide?
The InChIKey is AEPHCIGNVHIPIJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-16(12-24-21(26)20-7-4-10-27-20)28-19-6-3-5-17(11-19)14-25(2)15-18-13-22-8-9-23-18/h3-11,13,16H,12,14-15H2,1-2H3,(H,24,26)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide?
N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide is sourced from PubChem (CID 42499806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).