N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide

C15H16ClN3O2 — CID 87166112

IUPACN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2ccoc2c(Cl)n1
InChIInChI=1S/C15H16ClN3O2/c16-14-13-10(2-4-21-13)6-12(18-14)15(20)17-11-5-9-1-3-19(7-9)8-11/h2,4,6,9,11H,1,3,5,7-8H2,(H,17,20)/t9-,11-/m1/s1
InChIKeyREENQZUMJKLTTI-MWLCHTKSSA-N
MW305.76 g/mol
LogP2.31
Rot. Bonds2

About N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide (PubChem CID 87166112) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide
PubChem CID87166112
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2ccoc2c(Cl)n1
InChIInChI=1S/C15H16ClN3O2/c16-14-13-10(2-4-21-13)6-12(18-14)15(20)17-11-5-9-1-3-19(7-9)8-11/h2,4,6,9,11H,1,3,5,7-8H2,(H,17,20)/t9-,11-/m1/s1
InChIKeyREENQZUMJKLTTI-MWLCHTKSSA-N
XLogP2.31
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide with MolForge

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Related Compounds

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]-6-chloro-5-hydroxypyridine-2-carboxamide
CID 87940296
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 25014728
N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide
CID 22481709
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]-1-benzofuran-6-carboxamide;(E)-but-2-enedioic acid
CID 20782085
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide
CID 22481716
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide
CID 66815107
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide
CID 22243403
N-(1-azabicyclo[3.2.1]octan-3-yl)thieno[2,3-b]pyridine-6-carboxamide
CID 22389175
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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide (CID 87166112) is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide is O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2ccoc2c(Cl)n1.
What is the InChIKey of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide?
The InChIKey is REENQZUMJKLTTI-MWLCHTKSSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-14-13-10(2-4-21-13)6-12(18-14)15(20)17-11-5-9-1-3-19(7-9)8-11/h2,4,6,9,11H,1,3,5,7-8H2,(H,17,20)/t9-,11-/m1/s1.
What are the key properties of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide?
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide has a molecular weight of 305.76 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 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]-7-chlorofuro[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 87166112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).