3-pyridin-3-yl-2-pyrrol-1-ylbenzamide

C16H13N3O — CID 174660376

IUPAC3-pyridin-3-yl-2-pyrrol-1-ylbenzamide
SMILESNC(=O)c1cccc(-c2cccnc2)c1-n1cccc1
InChIInChI=1S/C16H13N3O/c17-16(20)14-7-3-6-13(12-5-4-8-18-11-12)15(14)19-9-1-2-10-19/h1-11H,(H2,17,20)
InChIKeyOMPCBIXWWXOKAW-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.64
Rot. Bonds3

About 3-pyridin-3-yl-2-pyrrol-1-ylbenzamide

3-pyridin-3-yl-2-pyrrol-1-ylbenzamide (PubChem CID 174660376) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-pyridin-3-yl-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name3-pyridin-3-yl-2-pyrrol-1-ylbenzamide
PubChem CID174660376
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name3-pyridin-3-yl-2-pyrrol-1-ylbenzamide
SMILESNC(=O)c1cccc(-c2cccnc2)c1-n1cccc1
InChIInChI=1S/C16H13N3O/c17-16(20)14-7-3-6-13(12-5-4-8-18-11-12)15(14)19-9-1-2-10-19/h1-11H,(H2,17,20)
InChIKeyOMPCBIXWWXOKAW-UHFFFAOYSA-N
XLogP2.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-2-pyrrol-1-ylbenzamide?
The IUPAC name of 3-pyridin-3-yl-2-pyrrol-1-ylbenzamide (CID 174660376) is 3-pyridin-3-yl-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for 3-pyridin-3-yl-2-pyrrol-1-ylbenzamide?
The canonical SMILES for 3-pyridin-3-yl-2-pyrrol-1-ylbenzamide is NC(=O)c1cccc(-c2cccnc2)c1-n1cccc1.
What is the InChIKey of 3-pyridin-3-yl-2-pyrrol-1-ylbenzamide?
The InChIKey is OMPCBIXWWXOKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-16(20)14-7-3-6-13(12-5-4-8-18-11-12)15(14)19-9-1-2-10-19/h1-11H,(H2,17,20).
What are the key properties of 3-pyridin-3-yl-2-pyrrol-1-ylbenzamide?
3-pyridin-3-yl-2-pyrrol-1-ylbenzamide has a molecular weight of 263.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 174660376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).