4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide

C15H26N4O — CID 79303494

IUPAC4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)c1cc(N)cn1CC
InChIInChI=1S/C15H26N4O/c1-4-18-8-6-7-13(18)11-17(3)15(20)14-9-12(16)10-19(14)5-2/h9-10,13H,4-8,11,16H2,1-3H3
InChIKeyOPPRCTHGQYUTSR-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.65
Rot. Bonds5

About 4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide

4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide (PubChem CID 79303494) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide
PubChem CID79303494
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)c1cc(N)cn1CC
InChIInChI=1S/C15H26N4O/c1-4-18-8-6-7-13(18)11-17(3)15(20)14-9-12(16)10-19(14)5-2/h9-10,13H,4-8,11,16H2,1-3H3
InChIKeyOPPRCTHGQYUTSR-UHFFFAOYSA-N
XLogP1.65
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 63878701
5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
CID 107185486
4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
CID 82813502
4-amino-1-ethyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43643448
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 136511984
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
CID 103720335
4-amino-1-ethyl-N-methyl-N-(2-methylcyclohexyl)pyrrole-2-carboxamide
CID 61104997
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 79314331
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501971
4-amino-1-ethyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 61118691
4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 55006736
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoro-N-methylbenzamide
CID 79319793

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide (CID 79303494) is 4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide is CCN1CCCC1CN(C)C(=O)c1cc(N)cn1CC.
What is the InChIKey of 4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide?
The InChIKey is OPPRCTHGQYUTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-18-8-6-7-13(18)11-17(3)15(20)14-9-12(16)10-19(14)5-2/h9-10,13H,4-8,11,16H2,1-3H3.
What are the key properties of 4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide?
4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 79303494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).