methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate

C19H19N3O3 — CID 134036744

IUPACmethyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)Cc2cn3ccccc3c2C#N)oc1C
InChIInChI=1S/C19H19N3O3/c1-13-16(19(23)24-3)8-15(25-13)12-21(2)10-14-11-22-7-5-4-6-18(22)17(14)9-20/h4-8,11H,10,12H2,1-3H3
InChIKeyAYUFXHKWLPVYOE-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.13
Rot. Bonds5

About methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 134036744) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID134036744
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Namemethyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)Cc2cn3ccccc3c2C#N)oc1C
InChIInChI=1S/C19H19N3O3/c1-13-16(19(23)24-3)8-15(25-13)12-21(2)10-14-11-22-7-5-4-6-18(22)17(14)9-20/h4-8,11H,10,12H2,1-3H3
InChIKeyAYUFXHKWLPVYOE-UHFFFAOYSA-N
XLogP3.13
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78789914
methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 78789892
methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78790048
2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide
CID 51075149
2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile
CID 18133543
methyl 5-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 35115828
2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile
CID 134011008
methyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate
CID 71892122
methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate
CID 31859236
methyl 5-[[[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 78836293
(1-cyanoindolizin-2-yl)methyl 1-benzofuran-2-carboxylate
CID 16616468
2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile
CID 99613524

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate (CID 134036744) is methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN(C)Cc2cn3ccccc3c2C#N)oc1C.
What is the InChIKey of methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is AYUFXHKWLPVYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-16(19(23)24-3)8-15(25-13)12-21(2)10-14-11-22-7-5-4-6-18(22)17(14)9-20/h4-8,11H,10,12H2,1-3H3.
What are the key properties of methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 134036744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).