N,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide

C29H27N3O4 — CID 66662265

IUPACN,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(C3(C(=O)N4CC[C@@]5(C4)OC(=O)c4ccccc45)CC3)cc2)nc1
InChIInChI=1S/C29H27N3O4/c1-31(2)25(33)20-9-12-24(30-17-20)19-7-10-21(11-8-19)28(13-14-28)27(35)32-16-15-29(18-32)23-6-4-3-5-22(23)26(34)36-29/h3-12,17H,13-16,18H2,1-2H3/t29-/m0/s1
InChIKeyWLFJDKIXEIPHMV-LJAQVGFWSA-N
MW481.55 g/mol
LogP3.78
Rot. Bonds4

About N,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide

N,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide (PubChem CID 66662265) has the molecular formula C29H27N3O4 and a molecular weight of 481.55 g/mol. Its IUPAC name is N,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide
PubChem CID66662265
Molecular FormulaC29H27N3O4
Molecular Weight481.55 g/mol
Exact Mass481.20
IUPAC NameN,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(C3(C(=O)N4CC[C@@]5(C4)OC(=O)c4ccccc45)CC3)cc2)nc1
InChIInChI=1S/C29H27N3O4/c1-31(2)25(33)20-9-12-24(30-17-20)19-7-10-21(11-8-19)28(13-14-28)27(35)32-16-15-29(18-32)23-6-4-3-5-22(23)26(34)36-29/h3-12,17H,13-16,18H2,1-2H3/t29-/m0/s1
InChIKeyWLFJDKIXEIPHMV-LJAQVGFWSA-N
XLogP3.78
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide (CID 66662265) is N,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide is CN(C)C(=O)c1ccc(-c2ccc(C3(C(=O)N4CC[C@@]5(C4)OC(=O)c4ccccc45)CC3)cc2)nc1.
What is the InChIKey of N,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide?
The InChIKey is WLFJDKIXEIPHMV-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H27N3O4/c1-31(2)25(33)20-9-12-24(30-17-20)19-7-10-21(11-8-19)28(13-14-28)27(35)32-16-15-29(18-32)23-6-4-3-5-22(23)26(34)36-29/h3-12,17H,13-16,18H2,1-2H3/t29-/m0/s1.
What are the key properties of N,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide?
N,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 66662265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).