N-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide

C20H23N3O2 — CID 167958227

IUPACN-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
SMILESO=C(Nc1ccc(OCc2ccncc2)cc1)C12CCCN(CC1)C2
InChIInChI=1S/C20H23N3O2/c24-19(20-8-1-12-23(15-20)13-9-20)22-17-2-4-18(5-3-17)25-14-16-6-10-21-11-7-16/h2-7,10-11H,1,8-9,12-15H2,(H,22,24)
InChIKeyIOGKRAYCLVPGLZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.09
Rot. Bonds5

About N-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide

N-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide (PubChem CID 167958227) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide.

Molecular Properties

Compound NameN-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
PubChem CID167958227
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
SMILESO=C(Nc1ccc(OCc2ccncc2)cc1)C12CCCN(CC1)C2
InChIInChI=1S/C20H23N3O2/c24-19(20-8-1-12-23(15-20)13-9-20)22-17-2-4-18(5-3-17)25-14-16-6-10-21-11-7-16/h2-7,10-11H,1,8-9,12-15H2,(H,22,24)
InChIKeyIOGKRAYCLVPGLZ-UHFFFAOYSA-N
XLogP3.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 167964241
1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970545
1-[[3-(propan-2-ylamino)phenyl]methyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]urea
CID 167776675
N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999707
3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide
CID 136539914
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284
1-(4-propoxyphenyl)-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 23732565
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119858993
(2S,5R)-5-(aminomethyl)-N-[4-(pyridin-4-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 120799964
1-N'-(4-piperidin-1-ylphenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108977040
1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 166284946

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The IUPAC name of N-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide (CID 167958227) is N-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide.
What is the SMILES notation for N-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The canonical SMILES for N-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide is O=C(Nc1ccc(OCc2ccncc2)cc1)C12CCCN(CC1)C2.
What is the InChIKey of N-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The InChIKey is IOGKRAYCLVPGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(20-8-1-12-23(15-20)13-9-20)22-17-2-4-18(5-3-17)25-14-16-6-10-21-11-7-16/h2-7,10-11H,1,8-9,12-15H2,(H,22,24).
What are the key properties of N-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
N-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide is sourced from PubChem (CID 167958227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).