N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide

C28H29N5O2 — CID 26279343

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
SMILESCCc1ccc(CN(C)C(=O)c2cccc(-n3cc(NC(=O)Cc4cccc(C)c4)cn3)c2)nc1
InChIInChI=1S/C28H29N5O2/c1-4-21-11-12-24(29-16-21)18-32(3)28(35)23-9-6-10-26(15-23)33-19-25(17-30-33)31-27(34)14-22-8-5-7-20(2)13-22/h5-13,15-17,19H,4,14,18H2,1-3H3,(H,31,34)
InChIKeyZVMKMOQJLMNUNE-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.59
Rot. Bonds8

About N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide

N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide (PubChem CID 26279343) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
PubChem CID26279343
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
SMILESCCc1ccc(CN(C)C(=O)c2cccc(-n3cc(NC(=O)Cc4cccc(C)c4)cn3)c2)nc1
InChIInChI=1S/C28H29N5O2/c1-4-21-11-12-24(29-16-21)18-32(3)28(35)23-9-6-10-26(15-23)33-19-25(17-30-33)31-27(34)14-22-8-5-7-20(2)13-22/h5-13,15-17,19H,4,14,18H2,1-3H3,(H,31,34)
InChIKeyZVMKMOQJLMNUNE-UHFFFAOYSA-N
XLogP4.59
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 42238129
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CID 42274009
N-benzyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 42344718
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CID 117074983
3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 117075185
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CID 117079181
N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
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CID 26316659
N-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 42378439
3-[[4-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzoyl]amino]benzamide;2,2,2-trifluoroacetic acid
CID 117074432
N-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide
CID 45205259
N-[1-[3-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide (CID 26279343) is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide is CCc1ccc(CN(C)C(=O)c2cccc(-n3cc(NC(=O)Cc4cccc(C)c4)cn3)c2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The InChIKey is ZVMKMOQJLMNUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-4-21-11-12-24(29-16-21)18-32(3)28(35)23-9-6-10-26(15-23)33-19-25(17-30-33)31-27(34)14-22-8-5-7-20(2)13-22/h5-13,15-17,19H,4,14,18H2,1-3H3,(H,31,34).
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide has a molecular weight of 467.57 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide is sourced from PubChem (CID 26279343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).