N-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide

C21H20N4O4 — CID 109098880

IUPACN-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cccc(C(=O)N3CCC4(CC3)OCCO4)n2)c1
InChIInChI=1S/C21H20N4O4/c22-14-15-3-1-4-16(13-15)23-19(26)17-5-2-6-18(24-17)20(27)25-9-7-21(8-10-25)28-11-12-29-21/h1-6,13H,7-12H2,(H,23,26)
InChIKeyZNUQJTAPQQRFBD-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.18
Rot. Bonds3

About N-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide

N-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide (PubChem CID 109098880) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
PubChem CID109098880
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cccc(C(=O)N3CCC4(CC3)OCCO4)n2)c1
InChIInChI=1S/C21H20N4O4/c22-14-15-3-1-4-16(13-15)23-19(26)17-5-2-6-18(24-17)20(27)25-9-7-21(8-10-25)28-11-12-29-21/h1-6,13H,7-12H2,(H,23,26)
InChIKeyZNUQJTAPQQRFBD-UHFFFAOYSA-N
XLogP2.18
TPSA104.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide with MolForge

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Related Compounds

6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109098874
[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109098849
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methanone
CID 109096677
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-3-carbonitrile
CID 78950104
2-N-(3-cyanophenyl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101113
6-N-(3-cyanophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094562
N-(3-fluorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094901
N-(3-cyanophenyl)-1-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109075405
3-[[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109324521
N-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3233698

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide (CID 109098880) is N-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide is N#Cc1cccc(NC(=O)c2cccc(C(=O)N3CCC4(CC3)OCCO4)n2)c1.
What is the InChIKey of N-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide?
The InChIKey is ZNUQJTAPQQRFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c22-14-15-3-1-4-16(13-15)23-19(26)17-5-2-6-18(24-17)20(27)25-9-7-21(8-10-25)28-11-12-29-21/h1-6,13H,7-12H2,(H,23,26).
What are the key properties of N-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide?
N-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109098880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).