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

C22H26Cl2N4O2 — CID 24506931

IUPACN-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
SMILESCc1c(C#N)c(NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)n(CC2CCCO2)c1C
InChIInChI=1S/C22H26Cl2N4O2/c1-14-15(2)28(12-18-5-4-8-30-18)22(19(14)10-25)26-21(29)13-27(3)11-16-6-7-17(23)9-20(16)24/h6-7,9,18H,4-5,8,11-13H2,1-3H3,(H,26,29)
InChIKeyLRLMWMTWRUZIGS-UHFFFAOYSA-N
MW449.38 g/mol
LogP4.53
Rot. Bonds7

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

N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide (PubChem CID 24506931) has the molecular formula C22H26Cl2N4O2 and a molecular weight of 449.38 g/mol. Its IUPAC name is N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
PubChem CID24506931
Molecular FormulaC22H26Cl2N4O2
Molecular Weight449.38 g/mol
Exact Mass448.14
IUPAC NameN-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
SMILESCc1c(C#N)c(NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)n(CC2CCCO2)c1C
InChIInChI=1S/C22H26Cl2N4O2/c1-14-15(2)28(12-18-5-4-8-30-18)22(19(14)10-25)26-21(29)13-27(3)11-16-6-7-17(23)9-20(16)24/h6-7,9,18H,4-5,8,11-13H2,1-3H3,(H,26,29)
InChIKeyLRLMWMTWRUZIGS-UHFFFAOYSA-N
XLogP4.53
TPSA70.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[(2,4-dichlorophenyl)methyl-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-dichlorophenyl)methyl-methylamino]acetamide
CID 24506882
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-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 24507615
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
N-[3-cyano-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]-2-piperidin-1-ylacetamide
CID 9249495
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-cyano-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]acetamide
CID 40968700
[2-[[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 9248540
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[3-cyano-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]acetamide
CID 41144949
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[3-cyano-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]acetamide
CID 30634594
N-[3-cyano-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 9250110
[2-[[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]amino]-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 9474720

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-dichlorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide (CID 24506931) is N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide is Cc1c(C#N)c(NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)n(CC2CCCO2)c1C.
What is the InChIKey of N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide?
The InChIKey is LRLMWMTWRUZIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O2/c1-14-15(2)28(12-18-5-4-8-30-18)22(19(14)10-25)26-21(29)13-27(3)11-16-6-7-17(23)9-20(16)24/h6-7,9,18H,4-5,8,11-13H2,1-3H3,(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-dichlorophenyl)methyl-methylamino]acetamide?
N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide has a molecular weight of 449.38 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 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-dichlorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 24506931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).