N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide

C13H16ClN3O2 — CID 87940296

IUPACN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc(O)c(Cl)n1
InChIInChI=1S/C13H16ClN3O2/c14-12-11(18)2-1-10(16-12)13(19)15-9-5-8-3-4-17(6-8)7-9/h1-2,8-9,18H,3-7H2,(H,15,19)/t8-,9-/m1/s1
InChIKeyDCRBFXSMQLZRIZ-RKDXNWHRSA-N
MW281.74 g/mol
LogP1.26
Rot. Bonds2

About N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide (PubChem CID 87940296) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide
PubChem CID87940296
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc(O)c(Cl)n1
InChIInChI=1S/C13H16ClN3O2/c14-12-11(18)2-1-10(16-12)13(19)15-9-5-8-3-4-17(6-8)7-9/h1-2,8-9,18H,3-7H2,(H,15,19)/t8-,9-/m1/s1
InChIKeyDCRBFXSMQLZRIZ-RKDXNWHRSA-N
XLogP1.26
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide
CID 87166112
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide
CID 22243235
N-(1-azabicyclo[3.2.1]octan-3-yl)thieno[2,3-b]pyridine-6-carboxamide
CID 22389175
N-(1-azabicyclo[3.2.1]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide
CID 22389458
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 25014728
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 59985812
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-methoxythieno[3,2-c]pyridine-6-carboxamide
CID 22389297
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-chloro-4-oxo-1H-pyridine-2-carboxamide
CID 22243403
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)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide
CID 22350338

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide (CID 87940296) is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide is O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc(O)c(Cl)n1.
What is the InChIKey of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide?
The InChIKey is DCRBFXSMQLZRIZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-12-11(18)2-1-10(16-12)13(19)15-9-5-8-3-4-17(6-8)7-9/h1-2,8-9,18H,3-7H2,(H,15,19)/t8-,9-/m1/s1.
What are the key properties of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide?
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 87940296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).