3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C24H28N6O2 — CID 55968479

IUPAC3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)C3CCCN(C(=O)Nc4ccccc4)C3)cn2)n1
InChIInChI=1S/C24H28N6O2/c1-17-13-18(2)30(28-17)22-11-10-19(14-25-22)15-26-23(31)20-7-6-12-29(16-20)24(32)27-21-8-4-3-5-9-21/h3-5,8-11,13-14,20H,6-7,12,15-16H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyYQVMLRFZPKCQSR-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.44
Rot. Bonds5

About 3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 55968479) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID55968479
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)C3CCCN(C(=O)Nc4ccccc4)C3)cn2)n1
InChIInChI=1S/C24H28N6O2/c1-17-13-18(2)30(28-17)22-11-10-19(14-25-22)15-26-23(31)20-7-6-12-29(16-20)24(32)27-21-8-4-3-5-9-21/h3-5,8-11,13-14,20H,6-7,12,15-16H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyYQVMLRFZPKCQSR-UHFFFAOYSA-N
XLogP3.44
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128779
1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 55820207
3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120549365
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848561
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722779
1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 78829736
3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24513884
1-N-phenyl-3-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 55711481
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(4-iodophenyl)methyl]piperidine-3-carboxamide
CID 90514647
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78890715

Frequently Asked Questions

What is the IUPAC name of 3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 55968479) is 3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is Cc1cc(C)n(-c2ccc(CNC(=O)C3CCCN(C(=O)Nc4ccccc4)C3)cn2)n1.
What is the InChIKey of 3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is YQVMLRFZPKCQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-17-13-18(2)30(28-17)22-11-10-19(14-25-22)15-26-23(31)20-7-6-12-29(16-20)24(32)27-21-8-4-3-5-9-21/h3-5,8-11,13-14,20H,6-7,12,15-16H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of 3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 432.53 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 55968479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).