N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide

C23H21N3O3 — CID 112773677

IUPACN-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cc(N3CCCC3)ccn1)oc1ccccc12
InChIInChI=1S/C23H21N3O3/c1-28-22-13-17-16-6-2-3-7-20(16)29-21(17)14-18(22)25-23(27)19-12-15(8-9-24-19)26-10-4-5-11-26/h2-3,6-9,12-14H,4-5,10-11H2,1H3,(H,25,27)
InChIKeyXJYJYIPCIUHAFE-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.84
Rot. Bonds4

About N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide

N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 112773677) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID112773677
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cc(N3CCCC3)ccn1)oc1ccccc12
InChIInChI=1S/C23H21N3O3/c1-28-22-13-17-16-6-2-3-7-20(16)29-21(17)14-18(22)25-23(27)19-12-15(8-9-24-19)26-10-4-5-11-26/h2-3,6-9,12-14H,4-5,10-11H2,1H3,(H,25,27)
InChIKeyXJYJYIPCIUHAFE-UHFFFAOYSA-N
XLogP4.84
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide (CID 112773677) is N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide is COc1cc2c(cc1NC(=O)c1cc(N3CCCC3)ccn1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is XJYJYIPCIUHAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-28-22-13-17-16-6-2-3-7-20(16)29-21(17)14-18(22)25-23(27)19-12-15(8-9-24-19)26-10-4-5-11-26/h2-3,6-9,12-14H,4-5,10-11H2,1H3,(H,25,27).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 112773677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).