6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-(1-naphthalen-1-ylethyl)-2-oxo-1H-pyridine-3-carboxamide

C28H29N3O3 — CID 45219933

IUPAC6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-(1-naphthalen-1-ylethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(CN(CCO)Cc2ccccc2)[nH]c1=O)c1cccc2ccccc12
InChIInChI=1S/C28H29N3O3/c1-20(24-13-7-11-22-10-5-6-12-25(22)24)29-27(33)26-15-14-23(30-28(26)34)19-31(16-17-32)18-21-8-3-2-4-9-21/h2-15,20,32H,16-19H2,1H3,(H,29,33)(H,30,34)
InChIKeyTXJRFGPLNHXWBO-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.01
Rot. Bonds9

About 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-(1-naphthalen-1-ylethyl)-2-oxo-1H-pyridine-3-carboxamide

6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-(1-naphthalen-1-ylethyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 45219933) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-(1-naphthalen-1-ylethyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-(1-naphthalen-1-ylethyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID45219933
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-(1-naphthalen-1-ylethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(CN(CCO)Cc2ccccc2)[nH]c1=O)c1cccc2ccccc12
InChIInChI=1S/C28H29N3O3/c1-20(24-13-7-11-22-10-5-6-12-25(22)24)29-27(33)26-15-14-23(30-28(26)34)19-31(16-17-32)18-21-8-3-2-4-9-21/h2-15,20,32H,16-19H2,1H3,(H,29,33)(H,30,34)
InChIKeyTXJRFGPLNHXWBO-UHFFFAOYSA-N
XLogP4.01
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-(1-naphthalen-1-ylethyl)-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N-(1-naphthalen-1-ylethyl)-2-oxo-6-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1H-pyridine-3-carboxamide
CID 171138249
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-(cyclopropanecarbonylamino)-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 167794265
5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231845
2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide
CID 24624533
5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide
CID 26399691
5-[[(2S)-2-(dimethylamino)-3-hydroxypropanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231801
2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 55411329

Frequently Asked Questions

What is the IUPAC name of 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-(1-naphthalen-1-ylethyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-(1-naphthalen-1-ylethyl)-2-oxo-1H-pyridine-3-carboxamide (CID 45219933) is 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-(1-naphthalen-1-ylethyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-(1-naphthalen-1-ylethyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-(1-naphthalen-1-ylethyl)-2-oxo-1H-pyridine-3-carboxamide is CC(NC(=O)c1ccc(CN(CCO)Cc2ccccc2)[nH]c1=O)c1cccc2ccccc12.
What is the InChIKey of 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-(1-naphthalen-1-ylethyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is TXJRFGPLNHXWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-20(24-13-7-11-22-10-5-6-12-25(22)24)29-27(33)26-15-14-23(30-28(26)34)19-31(16-17-32)18-21-8-3-2-4-9-21/h2-15,20,32H,16-19H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-(1-naphthalen-1-ylethyl)-2-oxo-1H-pyridine-3-carboxamide?
6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-(1-naphthalen-1-ylethyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 4.01, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-(1-naphthalen-1-ylethyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 45219933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).