2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide

C17H22N4O — CID 51075149

IUPAC2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1cn2ccccc2c1C#N
InChIInChI=1S/C17H22N4O/c1-4-20(5-2)17(22)13-19(3)11-14-12-21-9-7-6-8-16(21)15(14)10-18/h6-9,12H,4-5,11,13H2,1-3H3
InChIKeyMRPWBDFQXIKFBQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.11
Rot. Bonds6

About 2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide

2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide (PubChem CID 51075149) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide
PubChem CID51075149
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1cn2ccccc2c1C#N
InChIInChI=1S/C17H22N4O/c1-4-20(5-2)17(22)13-19(3)11-14-12-21-9-7-6-8-16(21)15(14)10-18/h6-9,12H,4-5,11,13H2,1-3H3
InChIKeyMRPWBDFQXIKFBQ-UHFFFAOYSA-N
XLogP2.11
TPSA51.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide 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 3-[(1-cyanoindolizin-2-yl)methyl-methylamino]propanoate
CID 62012449
2-[[5-hydroxypentyl(methyl)amino]methyl]indolizine-1-carbonitrile
CID 107203739
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60693832
2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile
CID 18133543
2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]indolizine-1-carbonitrile
CID 111107834
methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 134036744
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161
2-[(1-cyanoindolizin-2-yl)methylamino]-2-ethylbutanoic acid
CID 79812717
2-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]indolizine-1-carbonitrile
CID 95783884
2-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]indolizine-1-carbonitrile
CID 16605553
2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile
CID 99613524
2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 115462716

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide (CID 51075149) is 2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)Cc1cn2ccccc2c1C#N.
What is the InChIKey of 2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide?
The InChIKey is MRPWBDFQXIKFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-20(5-2)17(22)13-19(3)11-14-12-21-9-7-6-8-16(21)15(14)10-18/h6-9,12H,4-5,11,13H2,1-3H3.
What are the key properties of 2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide?
2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide has a molecular weight of 298.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 51075149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).