N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide

C21H21N3O3 — CID 72872777

IUPACN-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCOCCN(Cc1ccncc1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C21H21N3O3/c1-27-14-13-24(15-16-9-11-22-12-10-16)21(26)18-7-8-19(23-20(18)25)17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,23,25)
InChIKeyYHNRTHVOVNMYFP-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.73
Rot. Bonds7

About N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide

N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 72872777) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID72872777
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCOCCN(Cc1ccncc1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C21H21N3O3/c1-27-14-13-24(15-16-9-11-22-12-10-16)21(26)18-7-8-19(23-20(18)25)17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,23,25)
InChIKeyYHNRTHVOVNMYFP-UHFFFAOYSA-N
XLogP2.73
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 52906852
N-ethyl-N-(2-hydroxyethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 78884731
4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 121085063
8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
CID 121085165
N-(2-hydroxyethyl)-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 110893883
N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 52906834
ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid
CID 91141021
N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72858578
N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide
CID 106853333
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
N,N-bis(2-methoxyethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 86912287

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide (CID 72872777) is N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide is COCCN(Cc1ccncc1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is YHNRTHVOVNMYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-27-14-13-24(15-16-9-11-22-12-10-16)21(26)18-7-8-19(23-20(18)25)17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,23,25).
What are the key properties of N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide?
N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 72872777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).