N-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide

C13H15N3O3 — CID 22591334

IUPACN-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NC1CC2CC1CN2)c1cc2c(cn1)OCO2
InChIInChI=1S/C13H15N3O3/c17-13(16-9-2-8-1-7(9)4-14-8)10-3-11-12(5-15-10)19-6-18-11/h3,5,7-9,14H,1-2,4,6H2,(H,16,17)
InChIKeyGBXJMJCXNBZJOQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.29
Rot. Bonds2

About N-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide

N-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide (PubChem CID 22591334) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
PubChem CID22591334
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NC1CC2CC1CN2)c1cc2c(cn1)OCO2
InChIInChI=1S/C13H15N3O3/c17-13(16-9-2-8-1-7(9)4-14-8)10-3-11-12(5-15-10)19-6-18-11/h3,5,7-9,14H,1-2,4,6H2,(H,16,17)
InChIKeyGBXJMJCXNBZJOQ-UHFFFAOYSA-N
XLogP0.29
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide
CID 92974579
N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyanofuro[3,2-c]pyridine-6-carboxamide
CID 22389296
N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide
CID 22243515
N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide
CID 93499254
methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate
CID 22389358
N-(2-azabicyclo[2.2.1]heptan-5-yl)-6-cyanopyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22565556
2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid
CID 77430826
N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide
CID 22313280
N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide
CID 10192822
N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 22350567
N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide
CID 98077658
N-[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide
CID 129449962

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide (CID 22591334) is N-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide is O=C(NC1CC2CC1CN2)c1cc2c(cn1)OCO2.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide?
The InChIKey is GBXJMJCXNBZJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-13(16-9-2-8-1-7(9)4-14-8)10-3-11-12(5-15-10)19-6-18-11/h3,5,7-9,14H,1-2,4,6H2,(H,16,17).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 22591334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).