2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide

C19H26N4O2 — CID 97127606

IUPAC2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C19H26N4O2/c20-16(24)15-6-2-9-21-17(15)23-11-8-19(13-23)7-3-10-22(18(19)25)12-14-4-1-5-14/h2,6,9,14H,1,3-5,7-8,10-13H2,(H2,20,24)/t19-/m1/s1
InChIKeyRQQDLIXTMGCCLG-LJQANCHMSA-N
MW342.44 g/mol
LogP1.80
Rot. Bonds4

About 2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide

2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide (PubChem CID 97127606) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
PubChem CID97127606
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C19H26N4O2/c20-16(24)15-6-2-9-21-17(15)23-11-8-19(13-23)7-3-10-22(18(19)25)12-14-4-1-5-14/h2,6,9,14H,1,3-5,7-8,10-13H2,(H2,20,24)/t19-/m1/s1
InChIKeyRQQDLIXTMGCCLG-LJQANCHMSA-N
XLogP1.80
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide (CID 97127606) is 2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1.
What is the InChIKey of 2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide?
The InChIKey is RQQDLIXTMGCCLG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N4O2/c20-16(24)15-6-2-9-21-17(15)23-11-8-19(13-23)7-3-10-22(18(19)25)12-14-4-1-5-14/h2,6,9,14H,1,3-5,7-8,10-13H2,(H2,20,24)/t19-/m1/s1.
What are the key properties of 2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide?
2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 97127606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).