N-(2-chlorophenyl)-2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylamino]acetamide

C25H26ClN5O3 — CID 38172110

IUPACN-(2-chlorophenyl)-2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C25H26ClN5O3/c1-16-17(2)31(18-9-11-19(34-4)12-10-18)25(20(16)13-27)29-24(33)15-30(3)14-23(32)28-22-8-6-5-7-21(22)26/h5-12H,14-15H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyVBYOCKMEYORBJT-UHFFFAOYSA-N
MW479.97 g/mol
LogP4.14
Rot. Bonds8

About N-(2-chlorophenyl)-2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylamino]acetamide

N-(2-chlorophenyl)-2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 38172110) has the molecular formula C25H26ClN5O3 and a molecular weight of 479.97 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID38172110
Molecular FormulaC25H26ClN5O3
Molecular Weight479.97 g/mol
Exact Mass479.17
IUPAC NameN-(2-chlorophenyl)-2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C25H26ClN5O3/c1-16-17(2)31(18-9-11-19(34-4)12-10-18)25(20(16)13-27)29-24(33)15-30(3)14-23(32)28-22-8-6-5-7-21(22)26/h5-12H,14-15H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyVBYOCKMEYORBJT-UHFFFAOYSA-N
XLogP4.14
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylamino]acetamide (CID 38172110) is N-(2-chlorophenyl)-2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylamino]acetamide is COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is VBYOCKMEYORBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O3/c1-16-17(2)31(18-9-11-19(34-4)12-10-18)25(20(16)13-27)29-24(33)15-30(3)14-23(32)28-22-8-6-5-7-21(22)26/h5-12H,14-15H2,1-4H3,(H,28,32)(H,29,33).
What are the key properties of N-(2-chlorophenyl)-2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylamino]acetamide?
N-(2-chlorophenyl)-2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 479.97 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 38172110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).