4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide

C20H20N4O2 — CID 124882652

IUPAC4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc(O)c2ccccc2c1
InChIInChI=1S/C20H20N4O2/c25-18-12-15(11-14-5-1-2-7-17(14)18)20(26)22-16-6-4-10-24(13-16)19-8-3-9-21-23-19/h1-3,5,7-9,11-12,16,25H,4,6,10,13H2,(H,22,26)/t16-/m0/s1
InChIKeyGNQAAQXENYBZKC-INIZCTEOSA-N
MW348.41 g/mol
LogP2.73
Rot. Bonds3

About 4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide

4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide (PubChem CID 124882652) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide
PubChem CID124882652
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc(O)c2ccccc2c1
InChIInChI=1S/C20H20N4O2/c25-18-12-15(11-14-5-1-2-7-17(14)18)20(26)22-16-6-4-10-24(13-16)19-8-3-9-21-23-19/h1-3,5,7-9,11-12,16,25H,4,6,10,13H2,(H,22,26)/t16-/m0/s1
InChIKeyGNQAAQXENYBZKC-INIZCTEOSA-N
XLogP2.73
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide (CID 124882652) is 4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide is O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc(O)c2ccccc2c1.
What is the InChIKey of 4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide?
The InChIKey is GNQAAQXENYBZKC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-18-12-15(11-14-5-1-2-7-17(14)18)20(26)22-16-6-4-10-24(13-16)19-8-3-9-21-23-19/h1-3,5,7-9,11-12,16,25H,4,6,10,13H2,(H,22,26)/t16-/m0/s1.
What are the key properties of 4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide?
4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 124882652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).