5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid

C16H18N2O3 — CID 43639041

IUPAC5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
SMILESCCCn1cccc1C(=O)Nc1ccc(C)cc1C(=O)O
InChIInChI=1S/C16H18N2O3/c1-3-8-18-9-4-5-14(18)15(19)17-13-7-6-11(2)10-12(13)16(20)21/h4-7,9-10H,3,8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyDZHJPMUYEWTWAR-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.16
Rot. Bonds5

About 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid

5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid (PubChem CID 43639041) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
PubChem CID43639041
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
SMILESCCCn1cccc1C(=O)Nc1ccc(C)cc1C(=O)O
InChIInChI=1S/C16H18N2O3/c1-3-8-18-9-4-5-14(18)15(19)17-13-7-6-11(2)10-12(13)16(20)21/h4-7,9-10H,3,8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyDZHJPMUYEWTWAR-UHFFFAOYSA-N
XLogP3.16
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63616317
2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
CID 60825640
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid
CID 43639305
N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 107592544
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43639068
1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 61394373
3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63262330
N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide
CID 64780134
1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide
CID 61128394
2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
CID 107702371
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid?
The IUPAC name of 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid (CID 43639041) is 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid is CCCn1cccc1C(=O)Nc1ccc(C)cc1C(=O)O.
What is the InChIKey of 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid?
The InChIKey is DZHJPMUYEWTWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-8-18-9-4-5-14(18)15(19)17-13-7-6-11(2)10-12(13)16(20)21/h4-7,9-10H,3,8H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid?
5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 43639041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).