6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide

C26H29N3O2 — CID 45169119

IUPAC6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide
SMILESCN(CCc1ccccc1)Cc1ccc(C(=O)NC2CCCc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C26H29N3O2/c1-29(17-16-19-8-3-2-4-9-19)18-21-14-15-23(25(30)27-21)26(31)28-24-13-7-11-20-10-5-6-12-22(20)24/h2-6,8-10,12,14-15,24H,7,11,13,16-18H2,1H3,(H,27,30)(H,28,31)
InChIKeyDUEYJYGKJWDQKJ-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.86
Rot. Bonds7

About 6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide

6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide (PubChem CID 45169119) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide
PubChem CID45169119
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide
SMILESCN(CCc1ccccc1)Cc1ccc(C(=O)NC2CCCc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C26H29N3O2/c1-29(17-16-19-8-3-2-4-9-19)18-21-14-15-23(25(30)27-21)26(31)28-24-13-7-11-20-10-5-6-12-22(20)24/h2-6,8-10,12,14-15,24H,7,11,13,16-18H2,1H3,(H,27,30)(H,28,31)
InChIKeyDUEYJYGKJWDQKJ-UHFFFAOYSA-N
XLogP3.86
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide
CID 30852379
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976368
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976369
2-[benzyl(methyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8901359
6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide
CID 45227348
5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide
CID 25290308
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 3879149
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464359
2-[benzyl(ethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8541655
4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4681400
3-[2-phenylethyl-[(E)-3-phenylprop-2-enoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 42700625

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide (CID 45169119) is 6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide is CN(CCc1ccccc1)Cc1ccc(C(=O)NC2CCCc3ccccc32)c(=O)[nH]1.
What is the InChIKey of 6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide?
The InChIKey is DUEYJYGKJWDQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-29(17-16-19-8-3-2-4-9-19)18-21-14-15-23(25(30)27-21)26(31)28-24-13-7-11-20-10-5-6-12-22(20)24/h2-6,8-10,12,14-15,24H,7,11,13,16-18H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide?
6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 45169119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).