2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide

C20H31N5O2 — CID 70736482

IUPAC2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC2(CCC(=O)N(CCN(C)C)C2)CC1
InChIInChI=1S/C20H31N5O2/c1-21-19(27)16-5-4-10-22-18(16)24-11-8-20(9-12-24)7-6-17(26)25(15-20)14-13-23(2)3/h4-5,10H,6-9,11-15H2,1-3H3,(H,21,27)
InChIKeyLUTOTUUWTSIZLB-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.21
Rot. Bonds5

About 2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide

2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide (PubChem CID 70736482) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide
PubChem CID70736482
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC2(CCC(=O)N(CCN(C)C)C2)CC1
InChIInChI=1S/C20H31N5O2/c1-21-19(27)16-5-4-10-22-18(16)24-11-8-20(9-12-24)7-6-17(26)25(15-20)14-13-23(2)3/h4-5,10H,6-9,11-15H2,1-3H3,(H,21,27)
InChIKeyLUTOTUUWTSIZLB-UHFFFAOYSA-N
XLogP1.21
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide (CID 70736482) is 2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1N1CCC2(CCC(=O)N(CCN(C)C)C2)CC1.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is LUTOTUUWTSIZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-21-19(27)16-5-4-10-22-18(16)24-11-8-20(9-12-24)7-6-17(26)25(15-20)14-13-23(2)3/h4-5,10H,6-9,11-15H2,1-3H3,(H,21,27).
What are the key properties of 2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide?
2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 70736482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).