5-[(1R)-1-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide

C24H28N4O2 — CID 67407957

IUPAC5-[(1R)-1-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide
SMILESCC(=O)N1CCC2(CC1)CN([C@@H]1CCc3cc(-c4ccc(C(N)=O)nc4)ccc31)C2
InChIInChI=1S/C24H28N4O2/c1-16(29)27-10-8-24(9-11-27)14-28(15-24)22-7-4-18-12-17(2-5-20(18)22)19-3-6-21(23(25)30)26-13-19/h2-3,5-6,12-13,22H,4,7-11,14-15H2,1H3,(H2,25,30)/t22-/m1/s1
InChIKeyVDNMWOJWHXODJL-JOCHJYFZSA-N
MW404.51 g/mol
LogP2.78
Rot. Bonds3

About 5-[(1R)-1-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide

5-[(1R)-1-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide (PubChem CID 67407957) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-[(1R)-1-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(1R)-1-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide
PubChem CID67407957
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name5-[(1R)-1-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide
SMILESCC(=O)N1CCC2(CC1)CN([C@@H]1CCc3cc(-c4ccc(C(N)=O)nc4)ccc31)C2
InChIInChI=1S/C24H28N4O2/c1-16(29)27-10-8-24(9-11-27)14-28(15-24)22-7-4-18-12-17(2-5-20(18)22)19-3-6-21(23(25)30)26-13-19/h2-3,5-6,12-13,22H,4,7-11,14-15H2,1H3,(H2,25,30)/t22-/m1/s1
InChIKeyVDNMWOJWHXODJL-JOCHJYFZSA-N
XLogP2.78
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[(1R)-1-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide (CID 67407957) is 5-[(1R)-1-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(1R)-1-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[(1R)-1-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide is CC(=O)N1CCC2(CC1)CN([C@@H]1CCc3cc(-c4ccc(C(N)=O)nc4)ccc31)C2.
What is the InChIKey of 5-[(1R)-1-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide?
The InChIKey is VDNMWOJWHXODJL-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-16(29)27-10-8-24(9-11-27)14-28(15-24)22-7-4-18-12-17(2-5-20(18)22)19-3-6-21(23(25)30)26-13-19/h2-3,5-6,12-13,22H,4,7-11,14-15H2,1H3,(H2,25,30)/t22-/m1/s1.
What are the key properties of 5-[(1R)-1-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide?
5-[(1R)-1-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 67407957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).