4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide

C13H15N3O — CID 43642182

IUPAC4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(N)c[nH]1)c1ccccc1
InChIInChI=1S/C13H15N3O/c1-2-16(11-6-4-3-5-7-11)13(17)12-8-10(14)9-15-12/h3-9,15H,2,14H2,1H3
InChIKeyBOKNQWDKFNDVTB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.26
Rot. Bonds3

About 4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide

4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 43642182) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide
PubChem CID43642182
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(N)c[nH]1)c1ccccc1
InChIInChI=1S/C13H15N3O/c1-2-16(11-6-4-3-5-7-11)13(17)12-8-10(14)9-15-12/h3-9,15H,2,14H2,1H3
InChIKeyBOKNQWDKFNDVTB-UHFFFAOYSA-N
XLogP2.26
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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6-amino-N-ethyl-N-phenylpyrazine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide (CID 43642182) is 4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide is CCN(C(=O)c1cc(N)c[nH]1)c1ccccc1.
What is the InChIKey of 4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide?
The InChIKey is BOKNQWDKFNDVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-16(11-6-4-3-5-7-11)13(17)12-8-10(14)9-15-12/h3-9,15H,2,14H2,1H3.
What are the key properties of 4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide?
4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43642182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).