[6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

C20H27N5O — CID 26335118

IUPAC[6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESC=C(C)CNc1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cn1
InChIInChI=1S/C20H27N5O/c1-16(2)14-21-19-8-7-17(15-22-19)20(26)25-12-4-3-6-18(25)9-13-24-11-5-10-23-24/h5,7-8,10-11,15,18H,1,3-4,6,9,12-14H2,2H3,(H,21,22)/t18-/m1/s1
InChIKeyZTESXWNRZUAZNZ-GOSISDBHSA-N
MW353.47 g/mol
LogP3.35
Rot. Bonds7

About [6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

[6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 26335118) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is [6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID26335118
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name[6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESC=C(C)CNc1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cn1
InChIInChI=1S/C20H27N5O/c1-16(2)14-21-19-8-7-17(15-22-19)20(26)25-12-4-3-6-18(25)9-13-24-11-5-10-23-24/h5,7-8,10-11,15,18H,1,3-4,6,9,12-14H2,2H3,(H,21,22)/t18-/m1/s1
InChIKeyZTESXWNRZUAZNZ-GOSISDBHSA-N
XLogP3.35
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[6-(2-hydroxyethylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 95208526
[6-(3-hydroxypropylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 95201446
[6-(ethylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62165751
[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97187193
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
[6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 51903482
[6-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 83061594
[4-(difluoromethoxy)phenyl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70719362
(6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347058
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 97314114
6-methyl-4-[(2R)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 99932907
[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone
CID 84570849

Frequently Asked Questions

What is the IUPAC name of [6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (CID 26335118) is [6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is C=C(C)CNc1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cn1.
What is the InChIKey of [6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is ZTESXWNRZUAZNZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N5O/c1-16(2)14-21-19-8-7-17(15-22-19)20(26)25-12-4-3-6-18(25)9-13-24-11-5-10-23-24/h5,7-8,10-11,15,18H,1,3-4,6,9,12-14H2,2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of [6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
[6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 26335118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).