3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide

C18H13FN4O — CID 5135449

IUPAC3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESN#Cc1ccn(-c2ccc(F)cc2)c1C(=O)NCc1cccnc1
InChIInChI=1S/C18H13FN4O/c19-15-3-5-16(6-4-15)23-9-7-14(10-20)17(23)18(24)22-12-13-2-1-8-21-11-13/h1-9,11H,12H2,(H,22,24)
InChIKeyAAPDEROBJBFFRS-UHFFFAOYSA-N
MW320.33 g/mol
LogP2.81
Rot. Bonds4

About 3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide

3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 5135449) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID5135449
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESN#Cc1ccn(-c2ccc(F)cc2)c1C(=O)NCc1cccnc1
InChIInChI=1S/C18H13FN4O/c19-15-3-5-16(6-4-15)23-9-7-14(10-20)17(23)18(24)22-12-13-2-1-8-21-11-13/h1-9,11H,12H2,(H,22,24)
InChIKeyAAPDEROBJBFFRS-UHFFFAOYSA-N
XLogP2.81
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)-3-cyano-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 42750961
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
3-cyano-N-[(4-fluorophenyl)methyl]-1-(2-phenoxyphenyl)pyrrole-2-carboxamide
CID 4666115
N-benzyl-3-cyano-1-(3,4-dimethylphenyl)pyrrole-2-carboxamide
CID 809837
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
1-(4-fluorophenyl)-4-oxo-N-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 70011453
3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 42748986
1-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 40636787
3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24538472
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157937
N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide
CID 51086157
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479

Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide (CID 5135449) is 3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide is N#Cc1ccn(-c2ccc(F)cc2)c1C(=O)NCc1cccnc1.
What is the InChIKey of 3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is AAPDEROBJBFFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c19-15-3-5-16(6-4-15)23-9-7-14(10-20)17(23)18(24)22-12-13-2-1-8-21-11-13/h1-9,11H,12H2,(H,22,24).
What are the key properties of 3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 320.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 5135449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).