N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide

C17H15N3O — CID 110744355

IUPACN-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide
SMILESCc1cncc(NC(=O)c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C17H15N3O/c1-13-10-15(12-18-11-13)19-17(21)14-4-6-16(7-5-14)20-8-2-3-9-20/h2-12H,1H3,(H,19,21)
InChIKeyVSJCGPHUUHMNDZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.43
Rot. Bonds3

About N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide

N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide (PubChem CID 110744355) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide
PubChem CID110744355
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide
SMILESCc1cncc(NC(=O)c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C17H15N3O/c1-13-10-15(12-18-11-13)19-17(21)14-4-6-16(7-5-14)20-8-2-3-9-20/h2-12H,1H3,(H,19,21)
InChIKeyVSJCGPHUUHMNDZ-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246
4-hydrazinyl-N-(5-methyl-3-pyridinyl)benzamide
CID 107586745
4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide
CID 107586259
2,3-dimethyl-N-(5-methyl-3-pyridinyl)quinoxaline-6-carboxamide
CID 110744358
N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide
CID 100626605
4-fluoro-3-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 103738924
N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide
CID 47255659
N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
CID 24536258
2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103755964
5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 103738916

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide (CID 110744355) is N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide is Cc1cncc(NC(=O)c2ccc(-n3cccc3)cc2)c1.
What is the InChIKey of N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide?
The InChIKey is VSJCGPHUUHMNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-13-10-15(12-18-11-13)19-17(21)14-4-6-16(7-5-14)20-8-2-3-9-20/h2-12H,1H3,(H,19,21).
What are the key properties of N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide?
N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide has a molecular weight of 277.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110744355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).