3-cyclopropyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide

C15H16N2O — CID 70922242

IUPAC3-cyclopropyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccccc1NC(=O)c1[nH]ccc1C1CC1
InChIInChI=1S/C15H16N2O/c1-10-4-2-3-5-13(10)17-15(18)14-12(8-9-16-14)11-6-7-11/h2-5,8-9,11,16H,6-7H2,1H3,(H,17,18)
InChIKeyGRNMQURYYBMOEN-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.45
Rot. Bonds3

About 3-cyclopropyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide

3-cyclopropyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 70922242) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID70922242
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-cyclopropyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccccc1NC(=O)c1[nH]ccc1C1CC1
InChIInChI=1S/C15H16N2O/c1-10-4-2-3-5-13(10)17-15(18)14-12(8-9-16-14)11-6-7-11/h2-5,8-9,11,16H,6-7H2,1H3,(H,17,18)
InChIKeyGRNMQURYYBMOEN-UHFFFAOYSA-N
XLogP3.45
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 47009571
N-(2-methylphenyl)-6-piperidin-4-ylpyrazine-2-carboxamide
CID 95825784
4-(2-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2851771
N-(2-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261390
4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide
CID 150187165
2,6-dihydroxy-N-(2-methylphenyl)benzamide
CID 113347043
(4R)-6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695897
5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 965334
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 23633101
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide (CID 70922242) is 3-cyclopropyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide is Cc1ccccc1NC(=O)c1[nH]ccc1C1CC1.
What is the InChIKey of 3-cyclopropyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is GRNMQURYYBMOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-4-2-3-5-13(10)17-15(18)14-12(8-9-16-14)11-6-7-11/h2-5,8-9,11,16H,6-7H2,1H3,(H,17,18).
What are the key properties of 3-cyclopropyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide?
3-cyclopropyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 70922242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).