N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide

C17H15N3O2 — CID 17466747

IUPACN-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cn1
InChIInChI=1S/C17H15N3O2/c1-22-16-8-7-14(12-18-16)19-17(21)13-5-4-6-15(11-13)20-9-2-3-10-20/h2-12H,1H3,(H,19,21)
InChIKeyJUBWXGHNVAIFJM-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.13
Rot. Bonds4

About N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide

N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide (PubChem CID 17466747) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide
PubChem CID17466747
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cn1
InChIInChI=1S/C17H15N3O2/c1-22-16-8-7-14(12-18-16)19-17(21)13-5-4-6-15(11-13)20-9-2-3-10-20/h2-12H,1H3,(H,19,21)
InChIKeyJUBWXGHNVAIFJM-UHFFFAOYSA-N
XLogP3.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide
CID 24707094
4-imidazol-1-yl-N-(6-methoxy-3-pyridinyl)benzamide
CID 31532934
ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate
CID 9210948
methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate
CID 34160976
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide
CID 60605662
N-(6-methoxy-3-pyridinyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257121
3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide
CID 170977062
3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide
CID 110726291
4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
CID 47421902
N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
CID 16610347
N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17466734

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide (CID 17466747) is N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide is COc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide?
The InChIKey is JUBWXGHNVAIFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-16-8-7-14(12-18-16)19-17(21)13-5-4-6-15(11-13)20-9-2-3-10-20/h2-12H,1H3,(H,19,21).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide?
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide has a molecular weight of 293.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 17466747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).