3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide

C24H21N5O3 — CID 117075185

IUPAC3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)Nc4ccc(=O)[nH]c4)c3)c2)c1
InChIInChI=1S/C24H21N5O3/c1-16-4-2-5-17(10-16)11-23(31)27-20-14-26-29(15-20)21-7-3-6-18(12-21)24(32)28-19-8-9-22(30)25-13-19/h2-10,12-15H,11H2,1H3,(H,25,30)(H,27,31)(H,28,32)
InChIKeyKGPRIPRNOMNEAE-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.30
Rot. Bonds6

About 3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide

3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide (PubChem CID 117075185) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide.

Molecular Properties

Compound Name3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide
PubChem CID117075185
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)Nc4ccc(=O)[nH]c4)c3)c2)c1
InChIInChI=1S/C24H21N5O3/c1-16-4-2-5-17(10-16)11-23(31)27-20-14-26-29(15-20)21-7-3-6-18(12-21)24(32)28-19-8-9-22(30)25-13-19/h2-10,12-15H,11H2,1H3,(H,25,30)(H,27,31)(H,28,32)
InChIKeyKGPRIPRNOMNEAE-UHFFFAOYSA-N
XLogP3.30
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 42344718
N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 117075038
N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 117074983
2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide
CID 117079181
3-[[4-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzoyl]amino]benzamide;2,2,2-trifluoroacetic acid
CID 117074432
N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 26316659
4-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 117074693
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 26279343
N-(2,5-dimethoxyphenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide;2,2,2-trifluoroacetate
CID 117074570
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 42238129
N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
CID 42274009
N-[1-[3-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide
CID 42481734

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide?
The IUPAC name of 3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide (CID 117075185) is 3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide.
What is the SMILES notation for 3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide?
The canonical SMILES for 3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide is Cc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)Nc4ccc(=O)[nH]c4)c3)c2)c1.
What is the InChIKey of 3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide?
The InChIKey is KGPRIPRNOMNEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-16-4-2-5-17(10-16)11-23(31)27-20-14-26-29(15-20)21-7-3-6-18(12-21)24(32)28-19-8-9-22(30)25-13-19/h2-10,12-15H,11H2,1H3,(H,25,30)(H,27,31)(H,28,32).
What are the key properties of 3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide?
3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide has a molecular weight of 427.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide is sourced from PubChem (CID 117075185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).