4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide

C18H14N6O — CID 84579886

IUPAC4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-n2cnnc2)nc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H14N6O/c25-18(14-3-6-16(7-4-14)23-9-1-2-10-23)22-15-5-8-17(19-11-15)24-12-20-21-13-24/h1-13H,(H,22,25)
InChIKeySMAIOTOYYMSAKK-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.71
Rot. Bonds4

About 4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide

4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide (PubChem CID 84579886) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide
PubChem CID84579886
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-n2cnnc2)nc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H14N6O/c25-18(14-3-6-16(7-4-14)23-9-1-2-10-23)22-15-5-8-17(19-11-15)24-12-20-21-13-24/h1-13H,(H,22,25)
InChIKeySMAIOTOYYMSAKK-UHFFFAOYSA-N
XLogP2.71
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 16764606
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 84581832
N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50882091
2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide
CID 84582047
N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 26643465
N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide
CID 110744355
4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide
CID 26718752
N-(3-hydroxyphenyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 6459181
4-imidazol-1-yl-N-(6-methoxy-3-pyridinyl)benzamide
CID 31532934
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 51090180

Frequently Asked Questions

What is the IUPAC name of 4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide (CID 84579886) is 4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide is O=C(Nc1ccc(-n2cnnc2)nc1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide?
The InChIKey is SMAIOTOYYMSAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c25-18(14-3-6-16(7-4-14)23-9-1-2-10-23)22-15-5-8-17(19-11-15)24-12-20-21-13-24/h1-13H,(H,22,25).
What are the key properties of 4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide?
4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide has a molecular weight of 330.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 84579886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).