5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide

C18H14FN3O2 — CID 164595730

IUPAC5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2cccnc2)ccc1C(=O)c1ccccc1F
InChIInChI=1S/C18H14FN3O2/c1-22-15(17(23)13-6-2-3-7-14(13)19)8-9-16(22)18(24)21-12-5-4-10-20-11-12/h2-11H,1H3,(H,21,24)
InChIKeyGBFJGXMDBLNANB-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.04
Rot. Bonds4

About 5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide

5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide (PubChem CID 164595730) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide
PubChem CID164595730
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2cccnc2)ccc1C(=O)c1ccccc1F
InChIInChI=1S/C18H14FN3O2/c1-22-15(17(23)13-6-2-3-7-14(13)19)8-9-16(22)18(24)21-12-5-4-10-20-11-12/h2-11H,1H3,(H,21,24)
InChIKeyGBFJGXMDBLNANB-UHFFFAOYSA-N
XLogP3.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 30334935
5-(2-fluorobenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 84728759
3-fluoro-2-hydrazinyl-N-pyridin-3-ylbenzamide
CID 62660800
1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide
CID 77085057
2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide
CID 107019647
1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide
CID 71929440
2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide
CID 50851065
2-(2-fluorophenyl)-N-pyridin-3-ylacetamide
CID 4195275
4-amino-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide
CID 65355553
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
2-benzamido-N-pyridin-3-ylbenzamide
CID 730923
2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide
CID 123428745

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide?
The IUPAC name of 5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide (CID 164595730) is 5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide.
What is the SMILES notation for 5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide?
The canonical SMILES for 5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide is Cn1c(C(=O)Nc2cccnc2)ccc1C(=O)c1ccccc1F.
What is the InChIKey of 5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide?
The InChIKey is GBFJGXMDBLNANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-22-15(17(23)13-6-2-3-7-14(13)19)8-9-16(22)18(24)21-12-5-4-10-20-11-12/h2-11H,1H3,(H,21,24).
What are the key properties of 5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide?
5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide is sourced from PubChem (CID 164595730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).