N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide

C23H29FN4O3 — CID 24507615

IUPACN-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
SMILESCc1c(C#N)c(NC(=O)CN(C)CCOc2ccc(F)cc2)n(CC2CCCO2)c1C
InChIInChI=1S/C23H29FN4O3/c1-16-17(2)28(14-20-5-4-11-30-20)23(21(16)13-25)26-22(29)15-27(3)10-12-31-19-8-6-18(24)7-9-19/h6-9,20H,4-5,10-12,14-15H2,1-3H3,(H,26,29)
InChIKeyQUYJHGYSSAPWOO-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.24
Rot. Bonds9

About N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide

N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide (PubChem CID 24507615) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
PubChem CID24507615
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC NameN-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
SMILESCc1c(C#N)c(NC(=O)CN(C)CCOc2ccc(F)cc2)n(CC2CCCO2)c1C
InChIInChI=1S/C23H29FN4O3/c1-16-17(2)28(14-20-5-4-11-30-20)23(21(16)13-25)26-22(29)15-27(3)10-12-31-19-8-6-18(24)7-9-19/h6-9,20H,4-5,10-12,14-15H2,1-3H3,(H,26,29)
InChIKeyQUYJHGYSSAPWOO-UHFFFAOYSA-N
XLogP3.24
TPSA79.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide 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

N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetamide
CID 24506990
N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 24507538
N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide
CID 24506882
N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 24506931
2-(azepan-1-ium-1-yl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]acetamide
CID 9249831
N-[3-cyano-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]-2-piperidin-1-ium-1-ylacetamide
CID 9249494
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide
CID 24506836
N-[3-cyano-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]-2-piperidin-1-ylacetamide
CID 9249495
[2-[[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]amino]-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 9474720
[2-[[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 9248540
N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 24634178
N-[3-cyano-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 9250110

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide?
The IUPAC name of N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide (CID 24507615) is N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide.
What is the SMILES notation for N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide?
The canonical SMILES for N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide is Cc1c(C#N)c(NC(=O)CN(C)CCOc2ccc(F)cc2)n(CC2CCCO2)c1C.
What is the InChIKey of N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide?
The InChIKey is QUYJHGYSSAPWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-16-17(2)28(14-20-5-4-11-30-20)23(21(16)13-25)26-22(29)15-27(3)10-12-31-19-8-6-18(24)7-9-19/h6-9,20H,4-5,10-12,14-15H2,1-3H3,(H,26,29).
What are the key properties of N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide?
N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide has a molecular weight of 428.51 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide is sourced from PubChem (CID 24507615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).