4-[2-(4-chlorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

C19H16ClN3O2 — CID 3618231

IUPAC4-[2-(4-chlorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Cc1ccc(Cl)cc1)c1c[nH]c(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C19H16ClN3O2/c20-16-5-3-13(4-6-16)8-18(24)15-9-17(22-12-15)19(25)23-11-14-2-1-7-21-10-14/h1-7,9-10,12,22H,8,11H2,(H,23,25)
InChIKeyBJFBYGLMIZPMHT-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.42
Rot. Bonds6

About 4-[2-(4-chlorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

4-[2-(4-chlorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 3618231) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID3618231
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name4-[2-(4-chlorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Cc1ccc(Cl)cc1)c1c[nH]c(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C19H16ClN3O2/c20-16-5-3-13(4-6-16)8-18(24)15-9-17(22-12-15)19(25)23-11-14-2-1-7-21-10-14/h1-7,9-10,12,22H,8,11H2,(H,23,25)
InChIKeyBJFBYGLMIZPMHT-UHFFFAOYSA-N
XLogP3.42
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[2-(4-chlorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide (CID 3618231) is 4-[2-(4-chlorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(Cc1ccc(Cl)cc1)c1c[nH]c(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 4-[2-(4-chlorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is BJFBYGLMIZPMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-16-5-3-13(4-6-16)8-18(24)15-9-17(22-12-15)19(25)23-11-14-2-1-7-21-10-14/h1-7,9-10,12,22H,8,11H2,(H,23,25).
What are the key properties of 4-[2-(4-chlorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
4-[2-(4-chlorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3618231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).