4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide

C14H17N3O2 — CID 61116700

IUPAC4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C14H17N3O2/c1-9(11-5-3-4-6-13(11)18)17(2)14(19)12-7-10(15)8-16-12/h3-9,16,18H,15H2,1-2H3
InChIKeyCNMZPKLUUPAASB-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.14
Rot. Bonds3

About 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide

4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 61116700) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID61116700
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C14H17N3O2/c1-9(11-5-3-4-6-13(11)18)17(2)14(19)12-7-10(15)8-16-12/h3-9,16,18H,15H2,1-2H3
InChIKeyCNMZPKLUUPAASB-UHFFFAOYSA-N
XLogP2.14
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61114053
4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide
CID 61115899
5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide
CID 61113866
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 43641987
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 62788080
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043567
4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide
CID 81087863
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 54913010
4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 43642811
2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 103885573

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide (CID 61116700) is 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide is CC(c1ccccc1O)N(C)C(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is CNMZPKLUUPAASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(11-5-3-4-6-13(11)18)17(2)14(19)12-7-10(15)8-16-12/h3-9,16,18H,15H2,1-2H3.
What are the key properties of 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide?
4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61116700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).