6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide

C17H20N6O2 — CID 133336874

IUPAC6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N2CCN(c3cnn(C)c3)C(=O)C2)nc1
InChIInChI=1S/C17H20N6O2/c1-3-6-18-17(25)13-4-5-15(19-9-13)22-7-8-23(16(24)12-22)14-10-20-21(2)11-14/h3-5,9-11H,1,6-8,12H2,2H3,(H,18,25)
InChIKeyZQWCAWGAUNFSKP-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.58
Rot. Bonds5

About 6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide

6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133336874) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133336874
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N2CCN(c3cnn(C)c3)C(=O)C2)nc1
InChIInChI=1S/C17H20N6O2/c1-3-6-18-17(25)13-4-5-15(19-9-13)22-7-8-23(16(24)12-22)14-10-20-21(2)11-14/h3-5,9-11H,1,6-8,12H2,2H3,(H,18,25)
InChIKeyZQWCAWGAUNFSKP-UHFFFAOYSA-N
XLogP0.58
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133307551
6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 133327677
6-(3-hydroxy-4-methylpiperidin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 133446605
6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 133479539
1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 120964835
6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133465543
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133314215
N-ethyl-4-[[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 109435096
4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137269890
6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133345456
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247702

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide (CID 133336874) is 6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(N2CCN(c3cnn(C)c3)C(=O)C2)nc1.
What is the InChIKey of 6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is ZQWCAWGAUNFSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-3-6-18-17(25)13-4-5-15(19-9-13)22-7-8-23(16(24)12-22)14-10-20-21(2)11-14/h3-5,9-11H,1,6-8,12H2,2H3,(H,18,25).
What are the key properties of 6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide?
6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133336874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).