4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide

C17H25N3O4 — CID 109206070

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C17H25N3O4/c1-22-10-2-6-19-16(21)15-13-14(3-7-18-15)20-8-4-17(5-9-20)23-11-12-24-17/h3,7,13H,2,4-6,8-12H2,1H3,(H,19,21)
InChIKeyXEWFDOBUMMGTQN-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.19
Rot. Bonds6

About 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide (PubChem CID 109206070) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide
PubChem CID109206070
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C17H25N3O4/c1-22-10-2-6-19-16(21)15-13-14(3-7-18-15)20-8-4-17(5-9-20)23-11-12-24-17/h3,7,13H,2,4-6,8-12H2,1H3,(H,19,21)
InChIKeyXEWFDOBUMMGTQN-UHFFFAOYSA-N
XLogP1.19
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109207757
N-(3-methoxypropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204551
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206099
N-butan-2-yl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109203286
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209310
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212686
N-(3,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215686
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206773
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide
CID 109088568
N-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215720
N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215699
N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082639

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide (CID 109206070) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide is COCCCNC(=O)c1cc(N2CCC3(CC2)OCCO3)ccn1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The InChIKey is XEWFDOBUMMGTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-22-10-2-6-19-16(21)15-13-14(3-7-18-15)20-8-4-17(5-9-20)23-11-12-24-17/h3,7,13H,2,4-6,8-12H2,1H3,(H,19,21).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109206070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).