1-(3-hydroxyphenyl)pyrrole-3-carboxamide;1-(3-hydroxyphenyl)pyrrole-3-carboxylic acid

C22H19N3O5 — CID 66677679

IUPAC1-(3-hydroxyphenyl)pyrrole-3-carboxamide;1-(3-hydroxyphenyl)pyrrole-3-carboxylic acid
SMILESNC(=O)c1ccn(-c2cccc(O)c2)c1.O=C(O)c1ccn(-c2cccc(O)c2)c1
InChIInChI=1S/C11H10N2O2.C11H9NO3/c12-11(15)8-4-5-13(7-8)9-2-1-3-10(14)6-9;13-10-3-1-2-9(6-10)12-5-4-8(7-12)11(14)15/h1-7,14H,(H2,12,15);1-7,13H,(H,14,15)
InChIKeyWDTWXTVVCKFCIS-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.16
Rot. Bonds4

About 1-(3-hydroxyphenyl)pyrrole-3-carboxamide;1-(3-hydroxyphenyl)pyrrole-3-carboxylic acid

1-(3-hydroxyphenyl)pyrrole-3-carboxamide;1-(3-hydroxyphenyl)pyrrole-3-carboxylic acid (PubChem CID 66677679) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)pyrrole-3-carboxamide;1-(3-hydroxyphenyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)pyrrole-3-carboxamide;1-(3-hydroxyphenyl)pyrrole-3-carboxylic acid
PubChem CID66677679
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Name1-(3-hydroxyphenyl)pyrrole-3-carboxamide;1-(3-hydroxyphenyl)pyrrole-3-carboxylic acid
SMILESNC(=O)c1ccn(-c2cccc(O)c2)c1.O=C(O)c1ccn(-c2cccc(O)c2)c1
InChIInChI=1S/C11H10N2O2.C11H9NO3/c12-11(15)8-4-5-13(7-8)9-2-1-3-10(14)6-9;13-10-3-1-2-9(6-10)12-5-4-8(7-12)11(14)15/h1-7,14H,(H2,12,15);1-7,13H,(H,14,15)
InChIKeyWDTWXTVVCKFCIS-UHFFFAOYSA-N
XLogP3.16
TPSA130.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-pyridin-4-ylpyrrole-3-carboxylic acid
CID 143301463
CID 174830791
CID 174830791
CID 66671873
CID 66671873
benzene-1,3-diol;benzoic acid
CID 53446063
3-hydroxybenzoic acid;hydrochloride
CID 118389750
3-carbamoylbenzoic acid
CID 3014284
4-[1-(3-methylphenyl)pyrrol-3-yl]benzoic acid
CID 58156749
3-[1-(3-hydroxyphenyl)pyrazol-4-yl]benzoic acid
CID 67506851
1-[2-(aminomethyl)phenyl]pyrrole-3-carboxylic acid
CID 174701224
1-(2-chlorophenyl)pyrrole-3-carboxylic acid
CID 933589
(4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone
CID 5325964
3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid
CID 82369403

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)pyrrole-3-carboxamide;1-(3-hydroxyphenyl)pyrrole-3-carboxylic acid?
The IUPAC name of 1-(3-hydroxyphenyl)pyrrole-3-carboxamide;1-(3-hydroxyphenyl)pyrrole-3-carboxylic acid (CID 66677679) is 1-(3-hydroxyphenyl)pyrrole-3-carboxamide;1-(3-hydroxyphenyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxyphenyl)pyrrole-3-carboxamide;1-(3-hydroxyphenyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 1-(3-hydroxyphenyl)pyrrole-3-carboxamide;1-(3-hydroxyphenyl)pyrrole-3-carboxylic acid is NC(=O)c1ccn(-c2cccc(O)c2)c1.O=C(O)c1ccn(-c2cccc(O)c2)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)pyrrole-3-carboxamide;1-(3-hydroxyphenyl)pyrrole-3-carboxylic acid?
The InChIKey is WDTWXTVVCKFCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2.C11H9NO3/c12-11(15)8-4-5-13(7-8)9-2-1-3-10(14)6-9;13-10-3-1-2-9(6-10)12-5-4-8(7-12)11(14)15/h1-7,14H,(H2,12,15);1-7,13H,(H,14,15).
What are the key properties of 1-(3-hydroxyphenyl)pyrrole-3-carboxamide;1-(3-hydroxyphenyl)pyrrole-3-carboxylic acid?
1-(3-hydroxyphenyl)pyrrole-3-carboxamide;1-(3-hydroxyphenyl)pyrrole-3-carboxylic acid has a molecular weight of 405.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)pyrrole-3-carboxamide;1-(3-hydroxyphenyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 66677679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).