N-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide

C24H27N5O2 — CID 44561496

IUPACN-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1-n1cc(CN2CCC3(CC2)OCc2ccccc23)c(C)n1
InChIInChI=1S/C24H27N5O2/c1-17-19(15-29(27-17)22-20(23(30)25-2)7-5-11-26-22)14-28-12-9-24(10-13-28)21-8-4-3-6-18(21)16-31-24/h3-8,11,15H,9-10,12-14,16H2,1-2H3,(H,25,30)
InChIKeyIQAFGSKSRLQUKV-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.96
Rot. Bonds4

About N-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide

N-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 44561496) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID44561496
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1-n1cc(CN2CCC3(CC2)OCc2ccccc23)c(C)n1
InChIInChI=1S/C24H27N5O2/c1-17-19(15-29(27-17)22-20(23(30)25-2)7-5-11-26-22)14-28-12-9-24(10-13-28)21-8-4-3-6-18(21)16-31-24/h3-8,11,15H,9-10,12-14,16H2,1-2H3,(H,25,30)
InChIKeyIQAFGSKSRLQUKV-UHFFFAOYSA-N
XLogP2.96
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide (CID 44561496) is N-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide is CNC(=O)c1cccnc1-n1cc(CN2CCC3(CC2)OCc2ccccc23)c(C)n1.
What is the InChIKey of N-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is IQAFGSKSRLQUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-17-19(15-29(27-17)22-20(23(30)25-2)7-5-11-26-22)14-28-12-9-24(10-13-28)21-8-4-3-6-18(21)16-31-24/h3-8,11,15H,9-10,12-14,16H2,1-2H3,(H,25,30).
What are the key properties of N-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide?
N-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 44561496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).