N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-5-phenylpyridine-3-carboxamide

C27H28N4O2 — CID 167991850

IUPACN-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-5-phenylpyridine-3-carboxamide
SMILESCCC1=NN(Cc2ccccc2C)C(=O)C1CCNC(=O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C27H28N4O2/c1-3-25-24(27(33)31(30-25)18-21-12-8-7-9-19(21)2)13-14-29-26(32)23-15-22(16-28-17-23)20-10-5-4-6-11-20/h4-12,15-17,24H,3,13-14,18H2,1-2H3,(H,29,32)
InChIKeyKWAVDGBKQJUJII-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.60
Rot. Bonds8

About N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-5-phenylpyridine-3-carboxamide

N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-5-phenylpyridine-3-carboxamide (PubChem CID 167991850) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-5-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-5-phenylpyridine-3-carboxamide
PubChem CID167991850
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC NameN-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-5-phenylpyridine-3-carboxamide
SMILESCCC1=NN(Cc2ccccc2C)C(=O)C1CCNC(=O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C27H28N4O2/c1-3-25-24(27(33)31(30-25)18-21-12-8-7-9-19(21)2)13-14-29-26(32)23-15-22(16-28-17-23)20-10-5-4-6-11-20/h4-12,15-17,24H,3,13-14,18H2,1-2H3,(H,29,32)
InChIKeyKWAVDGBKQJUJII-UHFFFAOYSA-N
XLogP4.60
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
CID 167937637
1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea
CID 119036413
4-(cyanomethyl)-N-[2-[(4R)-3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]benzenesulfonamide
CID 100673542
5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535829
2-[[[5-(4-methylphenyl)pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 167762508
N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide
CID 42845323
5-hydroxy-N-[2-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 78953956
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
N-cyclopropyl-5-(4-phenylphenyl)pyridine-3-carboxamide
CID 42845850
N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride
CID 119641823
3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103889
5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231990

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-5-phenylpyridine-3-carboxamide?
The IUPAC name of N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-5-phenylpyridine-3-carboxamide (CID 167991850) is N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-5-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-5-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-5-phenylpyridine-3-carboxamide is CCC1=NN(Cc2ccccc2C)C(=O)C1CCNC(=O)c1cncc(-c2ccccc2)c1.
What is the InChIKey of N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-5-phenylpyridine-3-carboxamide?
The InChIKey is KWAVDGBKQJUJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-3-25-24(27(33)31(30-25)18-21-12-8-7-9-19(21)2)13-14-29-26(32)23-15-22(16-28-17-23)20-10-5-4-6-11-20/h4-12,15-17,24H,3,13-14,18H2,1-2H3,(H,29,32).
What are the key properties of N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-5-phenylpyridine-3-carboxamide?
N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-5-phenylpyridine-3-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-5-phenylpyridine-3-carboxamide is sourced from PubChem (CID 167991850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).