N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide

C18H18ClN3O2 — CID 22573509

IUPACN-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide
SMILESO=C(NC1CC2CC1CN2)c1ccc(Oc2cncc(Cl)c2)cc1
InChIInChI=1S/C18H18ClN3O2/c19-13-6-16(10-20-9-13)24-15-3-1-11(2-4-15)18(23)22-17-7-14-5-12(17)8-21-14/h1-4,6,9-10,12,14,17,21H,5,7-8H2,(H,22,23)
InChIKeyDVMCBDWYPUXUSK-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.01
Rot. Bonds4

About N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide

N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide (PubChem CID 22573509) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide
PubChem CID22573509
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide
SMILESO=C(NC1CC2CC1CN2)c1ccc(Oc2cncc(Cl)c2)cc1
InChIInChI=1S/C18H18ClN3O2/c19-13-6-16(10-20-9-13)24-15-3-1-11(2-4-15)18(23)22-17-7-14-5-12(17)8-21-14/h1-4,6,9-10,12,14,17,21H,5,7-8H2,(H,22,23)
InChIKeyDVMCBDWYPUXUSK-UHFFFAOYSA-N
XLogP3.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-5-yl)benzamide
CID 22573485
N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide
CID 22573318
N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide
CID 10192822
N-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide
CID 98077637
N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide
CID 93499231
N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide
CID 22243515
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
N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide
CID 167790207
N-(2-azabicyclo[2.2.1]heptan-5-yl)-3,4-dihydro-2H-chromene-7-carboxamide
CID 22313280
N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 93499229
N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(1,3-thiazol-2-ylsulfanyl)benzamide
CID 22573745

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide (CID 22573509) is N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide is O=C(NC1CC2CC1CN2)c1ccc(Oc2cncc(Cl)c2)cc1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide?
The InChIKey is DVMCBDWYPUXUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-13-6-16(10-20-9-13)24-15-3-1-11(2-4-15)18(23)22-17-7-14-5-12(17)8-21-14/h1-4,6,9-10,12,14,17,21H,5,7-8H2,(H,22,23).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide?
N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide has a molecular weight of 343.81 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide is sourced from PubChem (CID 22573509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).