N-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide

C22H26N4O2 — CID 10293050

IUPACN-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C22H26N4O2/c27-21(24-18-7-8-20(23-15-18)25-11-3-4-12-25)26-13-9-22(10-14-26)19-6-2-1-5-17(19)16-28-22/h1-2,5-8,15H,3-4,9-14,16H2,(H,24,27)
InChIKeyXOMQCBQUNKTEJN-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.74
Rot. Bonds2

About N-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide

N-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide (PubChem CID 10293050) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
PubChem CID10293050
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C22H26N4O2/c27-21(24-18-7-8-20(23-15-18)25-11-3-4-12-25)26-13-9-22(10-14-26)19-6-2-1-5-17(19)16-28-22/h1-2,5-8,15H,3-4,9-14,16H2,(H,24,27)
InChIKeyXOMQCBQUNKTEJN-UHFFFAOYSA-N
XLogP3.74
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
CID 10131986
N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide
CID 90350182
N-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 126792771
3-hydroxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 53499809
tert-butyl 4-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]piperazine-1-carboxylate
CID 47040321
N-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide
CID 90350183
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 69477895
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 115293891
4-[(3-chlorophenyl)methyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 55740139
N-(5-propan-2-yl-1,2-oxazol-3-yl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 127901233
4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 167860273
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035

Frequently Asked Questions

What is the IUPAC name of N-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide (CID 10293050) is N-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide is O=C(Nc1ccc(N2CCCC2)nc1)N1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of N-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
The InChIKey is XOMQCBQUNKTEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-21(24-18-7-8-20(23-15-18)25-11-3-4-12-25)26-13-9-22(10-14-26)19-6-2-1-5-17(19)16-28-22/h1-2,5-8,15H,3-4,9-14,16H2,(H,24,27).
What are the key properties of N-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
N-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 10293050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).