4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide

C14H17N3O2 — CID 107733315

IUPAC4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(N)cn1C)c1cccc(O)c1
InChIInChI=1S/C14H17N3O2/c1-3-17(11-5-4-6-12(18)8-11)14(19)13-7-10(15)9-16(13)2/h4-9,18H,3,15H2,1-2H3
InChIKeyYGSOIEMLXFRLAP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.98
Rot. Bonds3

About 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide

4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 107733315) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID107733315
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(N)cn1C)c1cccc(O)c1
InChIInChI=1S/C14H17N3O2/c1-3-17(11-5-4-6-12(18)8-11)14(19)13-7-10(15)9-16(13)2/h4-9,18H,3,15H2,1-2H3
InChIKeyYGSOIEMLXFRLAP-UHFFFAOYSA-N
XLogP1.98
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide (CID 107733315) is 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide is CCN(C(=O)c1cc(N)cn1C)c1cccc(O)c1.
What is the InChIKey of 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is YGSOIEMLXFRLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-17(11-5-4-6-12(18)8-11)14(19)13-7-10(15)9-16(13)2/h4-9,18H,3,15H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide?
4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 107733315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).