N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide

C18H23N5O2 — CID 78890715

IUPACN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)CN3CCCCC3=O)cn2)n1
InChIInChI=1S/C18H23N5O2/c1-13-9-14(2)23(21-13)16-7-6-15(10-19-16)11-20-17(24)12-22-8-4-3-5-18(22)25/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,20,24)
InChIKeyYKFCZGSZFGSJJA-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.51
Rot. Bonds5

About N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 78890715) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID78890715
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)CN3CCCCC3=O)cn2)n1
InChIInChI=1S/C18H23N5O2/c1-13-9-14(2)23(21-13)16-7-6-15(10-19-16)11-20-17(24)12-22-8-4-3-5-18(22)25/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,20,24)
InChIKeyYKFCZGSZFGSJJA-UHFFFAOYSA-N
XLogP1.51
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78890477
1-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848586
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55800908
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 87005326
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 51120474
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-phenoxyacetamide
CID 94097198
1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
CID 51084393
3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120549365
N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9325430
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 94097221
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128779
N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 33281524

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide (CID 78890715) is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide is Cc1cc(C)n(-c2ccc(CNC(=O)CN3CCCCC3=O)cn2)n1.
What is the InChIKey of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is YKFCZGSZFGSJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-9-14(2)23(21-13)16-7-6-15(10-19-16)11-20-17(24)12-22-8-4-3-5-18(22)25/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,20,24).
What are the key properties of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 341.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 78890715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).