N-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide

C13H16ClN3O2 — CID 22243403

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1cc(=O)c(Cl)c[nH]1
InChIInChI=1S/C13H16ClN3O2/c14-10-5-15-11(4-12(10)18)13(19)16-9-3-8-1-2-17(6-8)7-9/h4-5,8-9H,1-3,6-7H2,(H,15,18)(H,16,19)
InChIKeyPQORUOVJKKYLMS-UHFFFAOYSA-N
MW281.74 g/mol
LogP0.85
Rot. Bonds2

About N-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 22243403) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide
PubChem CID22243403
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1cc(=O)c(Cl)c[nH]1
InChIInChI=1S/C13H16ClN3O2/c14-10-5-15-11(4-12(10)18)13(19)16-9-3-8-1-2-17(6-8)7-9/h4-5,8-9H,1-3,6-7H2,(H,15,18)(H,16,19)
InChIKeyPQORUOVJKKYLMS-UHFFFAOYSA-N
XLogP0.85
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide
CID 22481716
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide
CID 87940296
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide
CID 87166112
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide
CID 66814952
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide
CID 22350324
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-fluorofuro[2,3-c]pyridine-5-carboxamide
CID 66814299
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
CID 10308194
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide
CID 22243235
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylfuro[3,2-c]pyridine-6-carboxamide
CID 66814738
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide
CID 66815047
N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide
CID 22481709
N-(1-azabicyclo[3.3.1]nonan-3-yl)-4-chloro-1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 19856772

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide (CID 22243403) is N-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide is O=C(NC1CC2CCN(C2)C1)c1cc(=O)c(Cl)c[nH]1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is PQORUOVJKKYLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-10-5-15-11(4-12(10)18)13(19)16-9-3-8-1-2-17(6-8)7-9/h4-5,8-9H,1-3,6-7H2,(H,15,18)(H,16,19).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 22243403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).