1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide

C24H28N6O2 — CID 55816585

IUPAC1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C24H28N6O2/c1-17-23(18(2)30(28-17)20-8-4-3-5-9-20)27-22(31)16-29-14-11-19(12-15-29)24(32)26-21-10-6-7-13-25-21/h3-10,13,19H,11-12,14-16H2,1-2H3,(H,27,31)(H,25,26,32)
InChIKeyZMHSEYXRTALFEF-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.17
Rot. Bonds6

About 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide

1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 55816585) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID55816585
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C24H28N6O2/c1-17-23(18(2)30(28-17)20-8-4-3-5-9-20)27-22(31)16-29-14-11-19(12-15-29)24(32)26-21-10-6-7-13-25-21/h3-10,13,19H,11-12,14-16H2,1-2H3,(H,27,31)(H,25,26,32)
InChIKeyZMHSEYXRTALFEF-UHFFFAOYSA-N
XLogP3.17
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

ethyl 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931236
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 34134610
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
CID 51279535
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692
1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55816386
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-imidazol-1-ylpiperidin-1-yl)propanamide
CID 75463129
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55566069
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]acetamide
CID 51135123
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78818259
2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 26551937
3-(4-cyclohexyloxypiperidin-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 86873912

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide (CID 55816585) is 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC(C(=O)Nc2ccccn2)CC1.
What is the InChIKey of 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is ZMHSEYXRTALFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-17-23(18(2)30(28-17)20-8-4-3-5-9-20)27-22(31)16-29-14-11-19(12-15-29)24(32)26-21-10-6-7-13-25-21/h3-10,13,19H,11-12,14-16H2,1-2H3,(H,27,31)(H,25,26,32).
What are the key properties of 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55816585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).