N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-cyanopyridine-2-carboxamide

C13H14N4O2 — CID 66194805

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NC2C(N)C3CCOC32)nc1
InChIInChI=1S/C13H14N4O2/c14-5-7-1-2-9(16-6-7)13(18)17-11-10(15)8-3-4-19-12(8)11/h1-2,6,8,10-12H,3-4,15H2,(H,17,18)
InChIKeyXITVLXXCMLIUER-UHFFFAOYSA-N
MW258.28 g/mol
LogP-0.20
Rot. Bonds2

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-cyanopyridine-2-carboxamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-cyanopyridine-2-carboxamide (PubChem CID 66194805) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-cyanopyridine-2-carboxamide
PubChem CID66194805
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NC2C(N)C3CCOC32)nc1
InChIInChI=1S/C13H14N4O2/c14-5-7-1-2-9(16-6-7)13(18)17-11-10(15)8-3-4-19-12(8)11/h1-2,6,8,10-12H,3-4,15H2,(H,17,18)
InChIKeyXITVLXXCMLIUER-UHFFFAOYSA-N
XLogP-0.20
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide
CID 66210943
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide
CID 66194802
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide
CID 66211143
N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide
CID 91795247
N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide
CID 106443960
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide
CID 66195765
5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide
CID 63719488
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide
CID 66196694
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide
CID 66195347
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-chloro-2-hydroxybenzamide
CID 66196124
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide
CID 114614884
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-cyanopyridine-2-carboxamide (CID 66194805) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-cyanopyridine-2-carboxamide is N#Cc1ccc(C(=O)NC2C(N)C3CCOC32)nc1.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-cyanopyridine-2-carboxamide?
The InChIKey is XITVLXXCMLIUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-5-7-1-2-9(16-6-7)13(18)17-11-10(15)8-3-4-19-12(8)11/h1-2,6,8,10-12H,3-4,15H2,(H,17,18).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-cyanopyridine-2-carboxamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-cyanopyridine-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 66194805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).