1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxamide

C16H19N5O2 — CID 137029406

IUPAC1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C16H19N5O2/c17-15-13(21-7-5-10(6-8-21)16(18)23)9-12(19-20-15)11-3-1-2-4-14(11)22/h1-4,9-10,22H,5-8H2,(H2,17,20)(H2,18,23)
InChIKeyXRSFMRWSXFETJT-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.13
Rot. Bonds3

About 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxamide

1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxamide (PubChem CID 137029406) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxamide
PubChem CID137029406
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C16H19N5O2/c17-15-13(21-7-5-10(6-8-21)16(18)23)9-12(19-20-15)11-3-1-2-4-14(11)22/h1-4,9-10,22H,5-8H2,(H2,17,20)(H2,18,23)
InChIKeyXRSFMRWSXFETJT-UHFFFAOYSA-N
XLogP1.13
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxamide (CID 137029406) is 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2cc(-c3ccccc3O)nnc2N)CC1.
What is the InChIKey of 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxamide?
The InChIKey is XRSFMRWSXFETJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c17-15-13(21-7-5-10(6-8-21)16(18)23)9-12(19-20-15)11-3-1-2-4-14(11)22/h1-4,9-10,22H,5-8H2,(H2,17,20)(H2,18,23).
What are the key properties of 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxamide?
1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 137029406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).