4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide

C12H18N4O2 — CID 63284940

IUPAC4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1cc(N)cn1C
InChIInChI=1S/C12H18N4O2/c1-15-9-10(14)8-11(15)12(17)16(5-3-4-13)6-7-18-2/h8-9H,3,5-7,14H2,1-2H3
InChIKeyJTAROIDBGWJZJG-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.61
Rot. Bonds6

About 4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide

4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide (PubChem CID 63284940) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
PubChem CID63284940
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1cc(N)cn1C
InChIInChI=1S/C12H18N4O2/c1-15-9-10(14)8-11(15)12(17)16(5-3-4-13)6-7-18-2/h8-9H,3,5-7,14H2,1-2H3
InChIKeyJTAROIDBGWJZJG-UHFFFAOYSA-N
XLogP0.61
TPSA84.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 63237164
4-amino-N-(2-cyanoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61113965
ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetate
CID 61108695
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
CID 63286185
4-amino-N,N-dibutyl-1-methylpyrrole-2-carboxamide
CID 43643260
4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide
CID 61105245
4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide
CID 61108331
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107075274
5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 63284227
3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)benzamide
CID 63286904
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63285915
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide (CID 63284940) is 4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide is COCCN(CCC#N)C(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is JTAROIDBGWJZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15-9-10(14)8-11(15)12(17)16(5-3-4-13)6-7-18-2/h8-9H,3,5-7,14H2,1-2H3.
What are the key properties of 4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide?
4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 63284940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).