4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide

C14H17N3O2 — CID 61116274

IUPAC4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(Cc1ccccc1O)C(=O)c1cc(N)cn1C
InChIInChI=1S/C14H17N3O2/c1-16-9-11(15)7-12(16)14(19)17(2)8-10-5-3-4-6-13(10)18/h3-7,9,18H,8,15H2,1-2H3
InChIKeyAUXOXBFXMGPUGR-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.59
Rot. Bonds3

About 4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide

4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 61116274) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID61116274
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(Cc1ccccc1O)C(=O)c1cc(N)cn1C
InChIInChI=1S/C14H17N3O2/c1-16-9-11(15)7-12(16)14(19)17(2)8-10-5-3-4-6-13(10)18/h3-7,9,18H,8,15H2,1-2H3
InChIKeyAUXOXBFXMGPUGR-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 61116466
4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54978696
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61115670
4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide
CID 43644054
4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643888
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 54906216
4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61113889
3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 60963333
4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 61109144
4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide
CID 61110785
4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide
CID 61110308
4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 65358055

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide (CID 61116274) is 4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide is CN(Cc1ccccc1O)C(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is AUXOXBFXMGPUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-9-11(15)7-12(16)14(19)17(2)8-10-5-3-4-6-13(10)18/h3-7,9,18H,8,15H2,1-2H3.
What are the key properties of 4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 61116274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).