6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide

C22H24N2O4 — CID 160596063

IUPAC6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2[C@H]3COC[C@@H]23)cc([C@@H](O)c2cccc(C)c2)n1
InChIInChI=1S/C22H24N2O4/c1-12-4-3-5-13(6-12)21(26)18-7-14(8-19(24-18)22(27)23-2)20(25)9-15-16-10-28-11-17(15)16/h3-8,15-17,21,26H,9-11H2,1-2H3,(H,23,27)/t15?,16-,17+,21-/m0/s1
InChIKeyNYZFOUFYMVCLMI-IMOOIFFWSA-N
MW380.44 g/mol
LogP2.30
Rot. Bonds6

About 6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide

6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide (PubChem CID 160596063) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide
PubChem CID160596063
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2[C@H]3COC[C@@H]23)cc([C@@H](O)c2cccc(C)c2)n1
InChIInChI=1S/C22H24N2O4/c1-12-4-3-5-13(6-12)21(26)18-7-14(8-19(24-18)22(27)23-2)20(25)9-15-16-10-28-11-17(15)16/h3-8,15-17,21,26H,9-11H2,1-2H3,(H,23,27)/t15?,16-,17+,21-/m0/s1
InChIKeyNYZFOUFYMVCLMI-IMOOIFFWSA-N
XLogP2.30
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide 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

6-[(R)-hydroxy-(3-methylphenyl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
CID 131997410
6-[(S)-hydroxy-(2-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy-(2-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide
CID 159668783
6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide
CID 159924854
6-[(S)-hydroxy-(3-methylphenyl)methyl]-2-N-methyl-3-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
CID 138557123
2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1R)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 131997330
6-[(1R)-2-methoxy-1-phenylethyl]-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
CID 138571832
6-[(R)-methoxy(phenyl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
CID 131996900
6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide
CID 159754646
[6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol
CID 175901613
4-N-[(1R,5S,6R)-2-[3-[(R)-methoxy-[6-(methylcarbamoyl)-4-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]-2-pyridinyl]methyl]phenyl]-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(S)-methoxy(phenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 131997367
N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide
CID 158532323
N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 159053138

Frequently Asked Questions

What is the IUPAC name of 6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide?
The IUPAC name of 6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide (CID 160596063) is 6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide is CNC(=O)c1cc(C(=O)CC2[C@H]3COC[C@@H]23)cc([C@@H](O)c2cccc(C)c2)n1.
What is the InChIKey of 6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide?
The InChIKey is NYZFOUFYMVCLMI-IMOOIFFWSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-12-4-3-5-13(6-12)21(26)18-7-14(8-19(24-18)22(27)23-2)20(25)9-15-16-10-28-11-17(15)16/h3-8,15-17,21,26H,9-11H2,1-2H3,(H,23,27)/t15?,16-,17+,21-/m0/s1.
What are the key properties of 6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide?
6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide is sourced from PubChem (CID 160596063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).