(5-hydroxy-3-pyridinyl)-[(1S,5R)-9-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

C21H25N3O3 — CID 137338698

IUPAC(5-hydroxy-3-pyridinyl)-[(1S,5R)-9-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
SMILESO=C(c1cncc(O)c1)N1C[C@@H]2COC[C@H](C1)N(CCc1ccccc1)C2
InChIInChI=1S/C21H25N3O3/c25-20-8-18(9-22-10-20)21(26)24-12-17-11-23(19(13-24)15-27-14-17)7-6-16-4-2-1-3-5-16/h1-5,8-10,17,19,25H,6-7,11-15H2/t17-,19+/m1/s1
InChIKeyHYHBJWLABUVQHT-MJGOQNOKSA-N
MW367.45 g/mol
LogP1.80
Rot. Bonds4

About (5-hydroxy-3-pyridinyl)-[(1S,5R)-9-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

(5-hydroxy-3-pyridinyl)-[(1S,5R)-9-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone (PubChem CID 137338698) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (5-hydroxy-3-pyridinyl)-[(1S,5R)-9-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone.

Molecular Properties

Compound Name(5-hydroxy-3-pyridinyl)-[(1S,5R)-9-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
PubChem CID137338698
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(5-hydroxy-3-pyridinyl)-[(1S,5R)-9-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
SMILESO=C(c1cncc(O)c1)N1C[C@@H]2COC[C@H](C1)N(CCc1ccccc1)C2
InChIInChI=1S/C21H25N3O3/c25-20-8-18(9-22-10-20)21(26)24-12-17-11-23(19(13-24)15-27-14-17)7-6-16-4-2-1-3-5-16/h1-5,8-10,17,19,25H,6-7,11-15H2/t17-,19+/m1/s1
InChIKeyHYHBJWLABUVQHT-MJGOQNOKSA-N
XLogP1.80
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-hydroxy-3-pyridinyl)-[(1S,5R)-9-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S,5R)-7-(3-hydroxy-4-methylbenzoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid
CID 135108417
[3-(4-hydroxyphenyl)phenyl]-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
CID 135099395
(5-hydroxy-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 63859040
3-phenyl-1-[(1R,5S)-3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one
CID 133118031
formic acid;[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-naphthalen-2-ylmethanone
CID 154916152
[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-quinoxalin-6-ylmethanone
CID 155505420
[(1S,5R)-9-[(1-ethylpyrazol-4-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-thiophen-3-ylmethanone
CID 135110527
[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
CID 163310602
[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-quinoxalin-6-ylmethanone
CID 72881858
(3,4-dichlorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658142
(3-chloro-4-hydroxyphenyl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
CID 135110010
(3-ethylmorpholin-4-yl)-(5-hydroxy-3-pyridinyl)methanone
CID 55257874

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-pyridinyl)-[(1S,5R)-9-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone?
The IUPAC name of (5-hydroxy-3-pyridinyl)-[(1S,5R)-9-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone (CID 137338698) is (5-hydroxy-3-pyridinyl)-[(1S,5R)-9-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone.
What is the SMILES notation for (5-hydroxy-3-pyridinyl)-[(1S,5R)-9-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone?
The canonical SMILES for (5-hydroxy-3-pyridinyl)-[(1S,5R)-9-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone is O=C(c1cncc(O)c1)N1C[C@@H]2COC[C@H](C1)N(CCc1ccccc1)C2.
What is the InChIKey of (5-hydroxy-3-pyridinyl)-[(1S,5R)-9-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone?
The InChIKey is HYHBJWLABUVQHT-MJGOQNOKSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20-8-18(9-22-10-20)21(26)24-12-17-11-23(19(13-24)15-27-14-17)7-6-16-4-2-1-3-5-16/h1-5,8-10,17,19,25H,6-7,11-15H2/t17-,19+/m1/s1.
What are the key properties of (5-hydroxy-3-pyridinyl)-[(1S,5R)-9-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone?
(5-hydroxy-3-pyridinyl)-[(1S,5R)-9-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-pyridinyl)-[(1S,5R)-9-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone is sourced from PubChem (CID 137338698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).