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

C22H21N5O2 — CID 55800908

IUPACN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCc1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C22H21N5O2/c1-14-10-15(2)27(25-14)20-9-8-17(11-23-20)12-24-21(28)13-26-16(3)18-6-4-5-7-19(18)22(26)29/h4-11H,3,12-13H2,1-2H3,(H,24,28)
InChIKeyNRQGZNZYHIYYQG-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.63
Rot. Bonds5

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

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 55800908) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID55800908
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCc1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C22H21N5O2/c1-14-10-15(2)27(25-14)20-9-8-17(11-23-20)12-24-21(28)13-26-16(3)18-6-4-5-7-19(18)22(26)29/h4-11H,3,12-13H2,1-2H3,(H,24,28)
InChIKeyNRQGZNZYHIYYQG-UHFFFAOYSA-N
XLogP2.63
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-phenoxyacetamide
CID 94097198
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78890715
N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18154251
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 87005324
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]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 55859680
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide
CID 120669656
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]-1-(4-methylphenyl)methanamine
CID 47052510
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128779
(3R)-3-(carbamoylamino)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide
CID 51960540

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 55800908) is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NCc1ccc(-n2nc(C)cc2C)nc1.
What is the InChIKey of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is NRQGZNZYHIYYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14-10-15(2)27(25-14)20-9-8-17(11-23-20)12-24-21(28)13-26-16(3)18-6-4-5-7-19(18)22(26)29/h4-11H,3,12-13H2,1-2H3,(H,24,28).
What are the key properties of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 2.63, 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-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 55800908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).