N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide

C25H26N2O4 — CID 156586518

IUPACN-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESCOc1ccc2c(c1)CCCC2NC(=O)c1c(OCc2ccccc2)c(=O)ccn1C
InChIInChI=1S/C25H26N2O4/c1-27-14-13-22(28)24(31-16-17-7-4-3-5-8-17)23(27)25(29)26-21-10-6-9-18-15-19(30-2)11-12-20(18)21/h3-5,7-8,11-15,21H,6,9-10,16H2,1-2H3,(H,26,29)
InChIKeyUIBHXFOLRLBUHK-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.78
Rot. Bonds6

About N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide

N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide (PubChem CID 156586518) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
PubChem CID156586518
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESCOc1ccc2c(c1)CCCC2NC(=O)c1c(OCc2ccccc2)c(=O)ccn1C
InChIInChI=1S/C25H26N2O4/c1-27-14-13-22(28)24(31-16-17-7-4-3-5-8-17)23(27)25(29)26-21-10-6-9-18-15-19(30-2)11-12-20(18)21/h3-5,7-8,11-15,21H,6,9-10,16H2,1-2H3,(H,26,29)
InChIKeyUIBHXFOLRLBUHK-UHFFFAOYSA-N
XLogP3.78
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 100749910
2-(2-chlorophenyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100633564
4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 129365353
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46766625
3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 125176327
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea
CID 167858635
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-4-carboxamide
CID 95706262
1-(3-methoxyphenyl)-3-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 29028111
4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 97429752
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
2-(4-phenylmethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919823
3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 100626716

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide (CID 156586518) is N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide is COc1ccc2c(c1)CCCC2NC(=O)c1c(OCc2ccccc2)c(=O)ccn1C.
What is the InChIKey of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The InChIKey is UIBHXFOLRLBUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-27-14-13-22(28)24(31-16-17-7-4-3-5-8-17)23(27)25(29)26-21-10-6-9-18-15-19(30-2)11-12-20(18)21/h3-5,7-8,11-15,21H,6,9-10,16H2,1-2H3,(H,26,29).
What are the key properties of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 156586518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).