[4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C21H26N4O2 — CID 21111463

IUPAC[4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1O
InChIInChI=1S/C21H26N4O2/c22-20-19(26)13-17(14-23-20)15-3-5-16(6-4-15)21(27)25-11-7-18(8-12-25)24-9-1-2-10-24/h3-6,13-14,18,26H,1-2,7-12H2,(H2,22,23)
InChIKeyFLFPQCBAIZSQNX-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.74
Rot. Bonds3

About [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 21111463) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID21111463
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name[4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1O
InChIInChI=1S/C21H26N4O2/c22-20-19(26)13-17(14-23-20)15-3-5-16(6-4-15)21(27)25-11-7-18(8-12-25)24-9-1-2-10-24/h3-6,13-14,18,26H,1-2,7-12H2,(H2,22,23)
InChIKeyFLFPQCBAIZSQNX-UHFFFAOYSA-N
XLogP2.74
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 21111463) is [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is Nc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1O.
What is the InChIKey of [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is FLFPQCBAIZSQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c22-20-19(26)13-17(14-23-20)15-3-5-16(6-4-15)21(27)25-11-7-18(8-12-25)24-9-1-2-10-24/h3-6,13-14,18,26H,1-2,7-12H2,(H2,22,23).
What are the key properties of [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 366.47 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 21111463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).