6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide

C22H23N5O2 — CID 155402904

IUPAC6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc(-c2ccccc2O)cc1-c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C22H23N5O2/c23-22(29)21-18(13-19(25-26-21)17-3-1-2-4-20(17)28)16-7-5-15(6-8-16)14-27-11-9-24-10-12-27/h1-8,13,24,28H,9-12,14H2,(H2,23,29)
InChIKeySYJSFQRVVLWKDQ-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.02
Rot. Bonds5

About 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide

6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 155402904) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide
PubChem CID155402904
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc(-c2ccccc2O)cc1-c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C22H23N5O2/c23-22(29)21-18(13-19(25-26-21)17-3-1-2-4-20(17)28)16-7-5-15(6-8-16)14-27-11-9-24-10-12-27/h1-8,13,24,28H,9-12,14H2,(H2,23,29)
InChIKeySYJSFQRVVLWKDQ-UHFFFAOYSA-N
XLogP2.02
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide (CID 155402904) is 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide is NC(=O)c1nnc(-c2ccccc2O)cc1-c1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is SYJSFQRVVLWKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c23-22(29)21-18(13-19(25-26-21)17-3-1-2-4-20(17)28)16-7-5-15(6-8-16)14-27-11-9-24-10-12-27/h1-8,13,24,28H,9-12,14H2,(H2,23,29).
What are the key properties of 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide?
6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 155402904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).