N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide

C20H21N3O5 — CID 109215731

IUPACN-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C20H21N3O5/c24-19(22-14-1-2-17-18(11-14)26-13-25-17)16-12-15(3-6-21-16)23-7-4-20(5-8-23)27-9-10-28-20/h1-3,6,11-12H,4-5,7-10,13H2,(H,22,24)
InChIKeyLZWOUWWVWKPQFT-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.41
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide (PubChem CID 109215731) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
PubChem CID109215731
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C20H21N3O5/c24-19(22-14-1-2-17-18(11-14)26-13-25-17)16-12-15(3-6-21-16)23-7-4-20(5-8-23)27-9-10-28-20/h1-3,6,11-12H,4-5,7-10,13H2,(H,22,24)
InChIKeyLZWOUWWVWKPQFT-UHFFFAOYSA-N
XLogP2.41
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352549
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-(3-fluorophenyl)pyridine-2-carboxamide
CID 109215730
N-(1,3-benzodioxol-5-yl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide
CID 108950080
N-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300487
N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109219632
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109215694
N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215699
N-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine
CID 112897546
N-[3-(dimethylamino)propyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109207757
N-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215720
2-N-(1,3-benzodioxol-5-yl)-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092867

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide (CID 109215731) is N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cc(N2CCC3(CC2)OCCO3)ccn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide?
The InChIKey is LZWOUWWVWKPQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c24-19(22-14-1-2-17-18(11-14)26-13-25-17)16-12-15(3-6-21-16)23-7-4-20(5-8-23)27-9-10-28-20/h1-3,6,11-12H,4-5,7-10,13H2,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109215731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).