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

C21H23N3O4 — CID 131997410

IUPAC6-[(R)-hydroxy-(3-methylphenyl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2[C@H]3COC[C@@H]23)cc([C@H](O)c2cccc(C)c2)n1
InChIInChI=1S/C21H23N3O4/c1-11-4-3-5-12(6-11)19(25)16-7-13(8-17(23-16)21(27)22-2)20(26)24-18-14-9-28-10-15(14)18/h3-8,14-15,18-19,25H,9-10H2,1-2H3,(H,22,27)(H,24,26)/t14-,15+,18?,19-/m1/s1
InChIKeyUEPLUCZHILWILQ-SQPFWDBASA-N
MW381.43 g/mol
LogP1.21
Rot. Bonds5

About 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

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 (PubChem CID 131997410) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(R)-hydroxy-(3-methylphenyl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
PubChem CID131997410
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name6-[(R)-hydroxy-(3-methylphenyl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2[C@H]3COC[C@@H]23)cc([C@H](O)c2cccc(C)c2)n1
InChIInChI=1S/C21H23N3O4/c1-11-4-3-5-12(6-11)19(25)16-7-13(8-17(23-16)21(27)22-2)20(26)24-18-14-9-28-10-15(14)18/h3-8,14-15,18-19,25H,9-10H2,1-2H3,(H,22,27)(H,24,26)/t14-,15+,18?,19-/m1/s1
InChIKeyUEPLUCZHILWILQ-SQPFWDBASA-N
XLogP1.21
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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-[(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-[(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-(2-cyano-1-phenylethyl)-2-N-methyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide
CID 131997416
2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide
CID 131997114
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
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
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-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
CID 131997386
[6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol
CID 175901613

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1cc(C(=O)NC2[C@H]3COC[C@@H]23)cc([C@H](O)c2cccc(C)c2)n1.
What is the InChIKey of 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?
The InChIKey is UEPLUCZHILWILQ-SQPFWDBASA-N. The full InChI is InChI=1S/C21H23N3O4/c1-11-4-3-5-12(6-11)19(25)16-7-13(8-17(23-16)21(27)22-2)20(26)24-18-14-9-28-10-15(14)18/h3-8,14-15,18-19,25H,9-10H2,1-2H3,(H,22,27)(H,24,26)/t14-,15+,18?,19-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 381.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 131997410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).