1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide

C14H22N4O2 — CID 106317446

IUPAC1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCn1cc(N)cc1C(=O)N1CCC(C)(C(=O)NC)C1
InChIInChI=1S/C14H22N4O2/c1-4-17-8-10(15)7-11(17)12(19)18-6-5-14(2,9-18)13(20)16-3/h7-8H,4-6,9,15H2,1-3H3,(H,16,20)
InChIKeyGRJJSBANCSPUPK-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.69
Rot. Bonds3

About 1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317446) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317446
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCn1cc(N)cc1C(=O)N1CCC(C)(C(=O)NC)C1
InChIInChI=1S/C14H22N4O2/c1-4-17-8-10(15)7-11(17)12(19)18-6-5-14(2,9-18)13(20)16-3/h7-8H,4-6,9,15H2,1-3H3,(H,16,20)
InChIKeyGRJJSBANCSPUPK-UHFFFAOYSA-N
XLogP0.69
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317442
1-(1-ethyl-4-nitropyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146675
(4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096346
1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 61106835
(4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43642024
1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317423
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151782
(4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62774779
1-[4-(chloromethyl)benzoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317992
1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151768
(4-bromo-1-ethylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304407

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317446) is 1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide is CCn1cc(N)cc1C(=O)N1CCC(C)(C(=O)NC)C1.
What is the InChIKey of 1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is GRJJSBANCSPUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-17-8-10(15)7-11(17)12(19)18-6-5-14(2,9-18)13(20)16-3/h7-8H,4-6,9,15H2,1-3H3,(H,16,20).
What are the key properties of 1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).