2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium

C18H23N4O+ — CID 7124123

IUPAC2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium
SMILESCCc1ccccc1-n1ccc(C#N)c1C(=O)NCC[NH+](C)C
InChIInChI=1S/C18H22N4O/c1-4-14-7-5-6-8-16(14)22-11-9-15(13-19)17(22)18(23)20-10-12-21(2)3/h5-9,11H,4,10,12H2,1-3H3,(H,20,23)/p+1
InChIKeyRAJRNOMMUPBFMT-UHFFFAOYSA-O
MW311.41 g/mol
LogP0.79
Rot. Bonds6

About 2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium

2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium (PubChem CID 7124123) has the molecular formula C18H23N4O+ and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium
PubChem CID7124123
Molecular FormulaC18H23N4O+
Molecular Weight311.41 g/mol
Exact Mass311.19
IUPAC Name2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium
SMILESCCc1ccccc1-n1ccc(C#N)c1C(=O)NCC[NH+](C)C
InChIInChI=1S/C18H22N4O/c1-4-14-7-5-6-8-16(14)22-11-9-15(13-19)17(22)18(23)20-10-12-21(2)3/h5-9,11H,4,10,12H2,1-3H3,(H,20,23)/p+1
InChIKeyRAJRNOMMUPBFMT-UHFFFAOYSA-O
XLogP0.79
TPSA62.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(3-methylbutyl)-1-(2-phenylphenyl)pyrrole-2-carboxamide
CID 5145646
3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 24715175
3-cyano-1-(2,5-difluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 3902580
1-(3-bromophenyl)-3-cyano-N-(3-methylbutyl)pyrrole-2-carboxamide
CID 5104581
3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide
CID 42748442
3-cyano-N-hexyl-1-(3-methylphenyl)pyrrole-2-carboxamide
CID 42748353
1-(3-bromophenyl)-3-cyano-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 4236090
3-cyano-1-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide
CID 3975419
3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 42748986
N-benzyl-3-cyano-1-(3,4-dimethylphenyl)pyrrole-2-carboxamide
CID 809837
N-benzyl-3-cyano-1-(4-methylphenyl)pyrrole-2-carboxamide
CID 809840
3-cyano-N-[(4-fluorophenyl)methyl]-1-(2-phenoxyphenyl)pyrrole-2-carboxamide
CID 4666115

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium?
The IUPAC name of 2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium (CID 7124123) is 2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium is CCc1ccccc1-n1ccc(C#N)c1C(=O)NCC[NH+](C)C.
What is the InChIKey of 2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium?
The InChIKey is RAJRNOMMUPBFMT-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N4O/c1-4-14-7-5-6-8-16(14)22-11-9-15(13-19)17(22)18(23)20-10-12-21(2)3/h5-9,11H,4,10,12H2,1-3H3,(H,20,23)/p+1.
What are the key properties of 2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium?
2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium has a molecular weight of 311.41 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 7124123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).