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

C17H15N3O2 — CID 24809726

IUPAC2-(4-methoxyphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
SMILESCOc1ccc(-c2[nH]c(-c3ccncc3)cc2C(N)=O)cc1
InChIInChI=1S/C17H15N3O2/c1-22-13-4-2-12(3-5-13)16-14(17(18)21)10-15(20-16)11-6-8-19-9-7-11/h2-10,20H,1H3,(H2,18,21)
InChIKeyJAKVUTLQQQVGSN-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.85
Rot. Bonds4

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

2-(4-methoxyphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide (PubChem CID 24809726) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
PubChem CID24809726
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-(4-methoxyphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
SMILESCOc1ccc(-c2[nH]c(-c3ccncc3)cc2C(N)=O)cc1
InChIInChI=1S/C17H15N3O2/c1-22-13-4-2-12(3-5-13)16-14(17(18)21)10-15(20-16)11-6-8-19-9-7-11/h2-10,20H,1H3,(H2,18,21)
InChIKeyJAKVUTLQQQVGSN-UHFFFAOYSA-N
XLogP2.85
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide (CID 24809726) is 2-(4-methoxyphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide is COc1ccc(-c2[nH]c(-c3ccncc3)cc2C(N)=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The InChIKey is JAKVUTLQQQVGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-13-4-2-12(3-5-13)16-14(17(18)21)10-15(20-16)11-6-8-19-9-7-11/h2-10,20H,1H3,(H2,18,21).
What are the key properties of 2-(4-methoxyphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
2-(4-methoxyphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).