5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide

C26H33N5O5 — CID 42162235

IUPAC5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCOCCNC(=O)c1cn(CCC(C)C)cc(C(=O)NCc2cnn(-c3ccccc3OC)c2)c1=O
InChIInChI=1S/C26H33N5O5/c1-18(2)9-11-30-16-20(25(33)27-10-12-35-3)24(32)21(17-30)26(34)28-13-19-14-29-31(15-19)22-7-5-6-8-23(22)36-4/h5-8,14-18H,9-13H2,1-4H3,(H,27,33)(H,28,34)
InChIKeyNJPPFBQYXVDKCK-UHFFFAOYSA-N
MW495.58 g/mol
LogP2.39
Rot. Bonds12

About 5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide

5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 42162235) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide
PubChem CID42162235
Molecular FormulaC26H33N5O5
Molecular Weight495.58 g/mol
Exact Mass495.25
IUPAC Name5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCOCCNC(=O)c1cn(CCC(C)C)cc(C(=O)NCc2cnn(-c3ccccc3OC)c2)c1=O
InChIInChI=1S/C26H33N5O5/c1-18(2)9-11-30-16-20(25(33)27-10-12-35-3)24(32)21(17-30)26(34)28-13-19-14-29-31(15-19)22-7-5-6-8-23(22)36-4/h5-8,14-18H,9-13H2,1-4H3,(H,27,33)(H,28,34)
InChIKeyNJPPFBQYXVDKCK-UHFFFAOYSA-N
XLogP2.39
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 26340325
methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 90649934
2-hydroxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylsulfanylbutanamide
CID 86284011
(2R)-2-hydroxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylsulfanylbutanamide
CID 99971690
2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55996337
1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea
CID 131915991
(9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 126438626
methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate
CID 25290660
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 42360133
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50982847
ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate
CID 26359401
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154892390

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide (CID 42162235) is 5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide is COCCNC(=O)c1cn(CCC(C)C)cc(C(=O)NCc2cnn(-c3ccccc3OC)c2)c1=O.
What is the InChIKey of 5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is NJPPFBQYXVDKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5/c1-18(2)9-11-30-16-20(25(33)27-10-12-35-3)24(32)21(17-30)26(34)28-13-19-14-29-31(15-19)22-7-5-6-8-23(22)36-4/h5-8,14-18H,9-13H2,1-4H3,(H,27,33)(H,28,34).
What are the key properties of 5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide?
5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 495.58 g/mol, XLogP of 2.39, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 42162235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).