7-fluoro-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide

C19H18FN3O2 — CID 47037141

IUPAC7-fluoro-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2N2CCCC2)oc2c(F)cccc12
InChIInChI=1S/C19H18FN3O2/c1-12-13-6-4-7-14(20)17(13)25-16(12)19(24)22-15-8-5-9-21-18(15)23-10-2-3-11-23/h4-9H,2-3,10-11H2,1H3,(H,22,24)
InChIKeyHJVIPKGRWBZCLI-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.13
Rot. Bonds3

About 7-fluoro-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide

7-fluoro-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 47037141) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 7-fluoro-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID47037141
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name7-fluoro-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2N2CCCC2)oc2c(F)cccc12
InChIInChI=1S/C19H18FN3O2/c1-12-13-6-4-7-14(20)17(13)25-16(12)19(24)22-15-8-5-9-21-18(15)23-10-2-3-11-23/h4-9H,2-3,10-11H2,1H3,(H,22,24)
InChIKeyHJVIPKGRWBZCLI-UHFFFAOYSA-N
XLogP4.13
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide (CID 47037141) is 7-fluoro-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cccnc2N2CCCC2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is HJVIPKGRWBZCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12-13-6-4-7-14(20)17(13)25-16(12)19(24)22-15-8-5-9-21-18(15)23-10-2-3-11-23/h4-9H,2-3,10-11H2,1H3,(H,22,24).
What are the key properties of 7-fluoro-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide?
7-fluoro-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47037141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).