2-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide

C17H15N3O — CID 24809724

IUPAC2-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2[nH]c(-c3ccncc3)cc2C(N)=O)cc1
InChIInChI=1S/C17H15N3O/c1-11-2-4-13(5-3-11)16-14(17(18)21)10-15(20-16)12-6-8-19-9-7-12/h2-10,20H,1H3,(H2,18,21)
InChIKeyRPPQQNWPUSILFF-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.15
Rot. Bonds3

About 2-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide

2-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide (PubChem CID 24809724) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
PubChem CID24809724
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2[nH]c(-c3ccncc3)cc2C(N)=O)cc1
InChIInChI=1S/C17H15N3O/c1-11-2-4-13(5-3-11)16-14(17(18)21)10-15(20-16)12-6-8-19-9-7-12/h2-10,20H,1H3,(H2,18,21)
InChIKeyRPPQQNWPUSILFF-UHFFFAOYSA-N
XLogP3.15
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide (CID 24809724) is 2-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide is Cc1ccc(-c2[nH]c(-c3ccncc3)cc2C(N)=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The InChIKey is RPPQQNWPUSILFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-2-4-13(5-3-11)16-14(17(18)21)10-15(20-16)12-6-8-19-9-7-12/h2-10,20H,1H3,(H2,18,21).
What are the key properties of 2-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
2-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).