[6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

C18H25N5O2 — CID 56739724

IUPAC[6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(NCCCO)nc1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C18H25N5O2/c24-12-2-7-19-17-4-3-16(13-20-17)18(25)22-10-5-15(6-11-22)14-23-9-1-8-21-23/h1,3-4,8-9,13,15,24H,2,5-7,10-12,14H2,(H,19,20)
InChIKeySNCYZDBHTNPZIY-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.62
Rot. Bonds7

About [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

[6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 56739724) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID56739724
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(NCCCO)nc1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C18H25N5O2/c24-12-2-7-19-17-4-3-16(13-20-17)18(25)22-10-5-15(6-11-22)14-23-9-1-8-21-23/h1,3-4,8-9,13,15,24H,2,5-7,10-12,14H2,(H,19,20)
InChIKeySNCYZDBHTNPZIY-UHFFFAOYSA-N
XLogP1.62
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.62
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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Frequently Asked Questions

What is the IUPAC name of [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 56739724) is [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccc(NCCCO)nc1)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is SNCYZDBHTNPZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-12-2-7-19-17-4-3-16(13-20-17)18(25)22-10-5-15(6-11-22)14-23-9-1-8-21-23/h1,3-4,8-9,13,15,24H,2,5-7,10-12,14H2,(H,19,20).
What are the key properties of [6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
[6-(3-hydroxypropylamino)-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 1.62, 7 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]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56739724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).