2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide

C20H23N3O2 — CID 134202955

IUPAC2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide
SMILESNc1ncc(-c2ccccc2)cc1C(=O)NC12CCC(O)(CC1)CC2
InChIInChI=1S/C20H23N3O2/c21-17-16(12-15(13-22-17)14-4-2-1-3-5-14)18(24)23-19-6-9-20(25,10-7-19)11-8-19/h1-5,12-13,25H,6-11H2,(H2,21,22)(H,23,24)
InChIKeyQJSJRLZFDSMMGK-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.90
Rot. Bonds3

About 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide

2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide (PubChem CID 134202955) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide
PubChem CID134202955
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide
SMILESNc1ncc(-c2ccccc2)cc1C(=O)NC12CCC(O)(CC1)CC2
InChIInChI=1S/C20H23N3O2/c21-17-16(12-15(13-22-17)14-4-2-1-3-5-14)18(24)23-19-6-9-20(25,10-7-19)11-8-19/h1-5,12-13,25H,6-11H2,(H2,21,22)(H,23,24)
InChIKeyQJSJRLZFDSMMGK-UHFFFAOYSA-N
XLogP2.90
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-[4-[1-(2-fluoroethyl)pyrrolidin-3-yl]phenyl]-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyridine-3-carboxamide
CID 134203030
2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide
CID 169087595
2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-(1'-propan-2-ylspiro[3H-2-benzofuran-1,4'-piperidine]-5-yl)pyridine-3-carboxamide
CID 169087534
2-amino-N-(4-methylcyclohexyl)-5-phenylpyridine-3-carboxamide
CID 134202942
3-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-[3-(1-methylpyrazol-4-yl)phenyl]pyrazine-2-carboxamide
CID 176706123
2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid
CID 82556129
1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide
CID 106218185
bis[4-[[2-amino-5-[4-[(1R,5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carbonyl]amino]-1-bicyclo[2.2.2]octanyl] (E)-but-2-enedioate
CID 138628909
2-amino-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5-[4-[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 138628950
N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62153733
N-(4-acetamidophenyl)-5-(4-acetylphenyl)-2-aminopyridine-3-carboxamide
CID 164524580
2-amino-N-methyl-5-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 144889183

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide (CID 134202955) is 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide is Nc1ncc(-c2ccccc2)cc1C(=O)NC12CCC(O)(CC1)CC2.
What is the InChIKey of 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide?
The InChIKey is QJSJRLZFDSMMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-17-16(12-15(13-22-17)14-4-2-1-3-5-14)18(24)23-19-6-9-20(25,10-7-19)11-8-19/h1-5,12-13,25H,6-11H2,(H2,21,22)(H,23,24).
What are the key properties of 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide?
2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide is sourced from PubChem (CID 134202955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).