N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide

C21H32N4O2 — CID 30288555

IUPACN-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C21H32N4O2/c1-14-6-15(2)25(24-14)5-3-4-22-19(26)13-23-20(27)21-10-16-7-17(11-21)9-18(8-16)12-21/h6,16-18H,3-5,7-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyLCRLXNMIBPQCDO-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.34
Rot. Bonds7

About N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 30288555) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID30288555
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C21H32N4O2/c1-14-6-15(2)25(24-14)5-3-4-22-19(26)13-23-20(27)21-10-16-7-17(11-21)9-18(8-16)12-21/h6,16-18H,3-5,7-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyLCRLXNMIBPQCDO-UHFFFAOYSA-N
XLogP2.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide
CID 115573473
2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 115574328
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide
CID 115574280
2-[[N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide;hydroiodide
CID 111279120
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 166619287
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 115746711
1-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119266857
cis-(1R,2S)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124574731
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 47005374
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
N-cyclohexyl-2-[[N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111280151

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide (CID 30288555) is N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide is Cc1cc(C)n(CCCNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is LCRLXNMIBPQCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-14-6-15(2)25(24-14)5-3-4-22-19(26)13-23-20(27)21-10-16-7-17(11-21)9-18(8-16)12-21/h6,16-18H,3-5,7-13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 30288555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).