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

C19H27N5O2 — CID 95201446

IUPAC[6-(3-hydroxypropylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(NCCCO)nc1)N1CCCC[C@@H]1CCn1cccn1
InChIInChI=1S/C19H27N5O2/c25-14-4-9-20-18-7-6-16(15-21-18)19(26)24-12-2-1-5-17(24)8-13-23-11-3-10-22-23/h3,6-7,10-11,15,17,25H,1-2,4-5,8-9,12-14H2,(H,20,21)/t17-/m1/s1
InChIKeyTYPRIXLGWBAMEZ-QGZVFWFLSA-N
MW357.46 g/mol
LogP2.16
Rot. Bonds8

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

[6-(3-hydroxypropylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 95201446) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is [6-(3-hydroxypropylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(3-hydroxypropylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID95201446
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name[6-(3-hydroxypropylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(NCCCO)nc1)N1CCCC[C@@H]1CCn1cccn1
InChIInChI=1S/C19H27N5O2/c25-14-4-9-20-18-7-6-16(15-21-18)19(26)24-12-2-1-5-17(24)8-13-23-11-3-10-22-23/h3,6-7,10-11,15,17,25H,1-2,4-5,8-9,12-14H2,(H,20,21)/t17-/m1/s1
InChIKeyTYPRIXLGWBAMEZ-QGZVFWFLSA-N
XLogP2.16
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 26335118
[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
[4-(difluoromethoxy)phenyl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70719362
[6-[methyl(1,2-oxazol-3-ylmethyl)amino]-3-pyridinyl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 51903482
[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone
CID 84570849
[6-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 83061594
morpholin-4-yl-[6-(2-pyrazol-1-ylethylamino)-3-pyridinyl]methanone
CID 134700155
6-[(2R)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 98370560
[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70729734

Frequently Asked Questions

What is the IUPAC name of [6-(3-hydroxypropylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(3-hydroxypropylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (CID 95201446) is [6-(3-hydroxypropylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(3-hydroxypropylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(3-hydroxypropylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is O=C(c1ccc(NCCCO)nc1)N1CCCC[C@@H]1CCn1cccn1.
What is the InChIKey of [6-(3-hydroxypropylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is TYPRIXLGWBAMEZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N5O2/c25-14-4-9-20-18-7-6-16(15-21-18)19(26)24-12-2-1-5-17(24)8-13-23-11-3-10-22-23/h3,6-7,10-11,15,17,25H,1-2,4-5,8-9,12-14H2,(H,20,21)/t17-/m1/s1.
What are the key properties of [6-(3-hydroxypropylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
[6-(3-hydroxypropylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 357.46 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-hydroxypropylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95201446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).