2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide

C19H28N4O3 — CID 70727411

IUPAC2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide
SMILESCOCCCN1CC2(CCC1=O)CCN(c1ncccc1C(N)=O)CC2
InChIInChI=1S/C19H28N4O3/c1-26-13-3-10-23-14-19(6-5-16(23)24)7-11-22(12-8-19)18-15(17(20)25)4-2-9-21-18/h2,4,9H,3,5-8,10-14H2,1H3,(H2,20,25)
InChIKeyTWKLURYXEPWKAT-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.43
Rot. Bonds6

About 2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide

2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide (PubChem CID 70727411) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide
PubChem CID70727411
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide
SMILESCOCCCN1CC2(CCC1=O)CCN(c1ncccc1C(N)=O)CC2
InChIInChI=1S/C19H28N4O3/c1-26-13-3-10-23-14-19(6-5-16(23)24)7-11-22(12-8-19)18-15(17(20)25)4-2-9-21-18/h2,4,9H,3,5-8,10-14H2,1H3,(H2,20,25)
InChIKeyTWKLURYXEPWKAT-UHFFFAOYSA-N
XLogP1.43
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide
CID 70736482
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
4-[[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzamide
CID 70773528
2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70744940
8-(2-ethoxypyridine-3-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70757089
(6R)-2-(3-methoxypropyl)-8-pyrimidin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 95867371
2-(3-methoxypropyl)-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926962
9-(3-hydroxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72905387
9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70713982
2-(3-methoxypropyl)-8-(quinoxaline-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70756988
2-(3-methoxypropyl)-9-[2-(4-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72904809
2-(3-methoxypropyl)-9-[2-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72934308

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide (CID 70727411) is 2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide is COCCCN1CC2(CCC1=O)CCN(c1ncccc1C(N)=O)CC2.
What is the InChIKey of 2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide?
The InChIKey is TWKLURYXEPWKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-26-13-3-10-23-14-19(6-5-16(23)24)7-11-22(12-8-19)18-15(17(20)25)4-2-9-21-18/h2,4,9H,3,5-8,10-14H2,1H3,(H2,20,25).
What are the key properties of 2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide?
2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide is sourced from PubChem (CID 70727411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).