3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide

C18H16N4O2 — CID 137045899

IUPAC3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide
SMILESNc1nnc(-c2ccccc2O)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H16N4O2/c19-17-14(18(24)20-11-12-6-2-1-3-7-12)10-15(21-22-17)13-8-4-5-9-16(13)23/h1-10,23H,11H2,(H2,19,22)(H,20,24)
InChIKeyJIFHOFMTFIXJRU-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.36
Rot. Bonds4

About 3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide

3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide (PubChem CID 137045899) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide
PubChem CID137045899
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide
SMILESNc1nnc(-c2ccccc2O)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H16N4O2/c19-17-14(18(24)20-11-12-6-2-1-3-7-12)10-15(21-22-17)13-8-4-5-9-16(13)23/h1-10,23H,11H2,(H2,19,22)(H,20,24)
InChIKeyJIFHOFMTFIXJRU-UHFFFAOYSA-N
XLogP2.36
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

US10308614, Example 235
CID 137029452
US10308614, Example 62
CID 137029454
US10308614, Example 61
CID 137029469
US10308614, Example 227
CID 137045953
3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-N-prop-2-enylbenzamide
CID 136253003
3-amino-6-(2-hydroxyphenyl)-N-[(1S,2R)-2-phenylcyclopropyl]pyridazine-4-carboxamide
CID 137029470
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 137029564
2-[4-[3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde
CID 137045901
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 137045962
4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 137277871
3-amino-6-(2-hydroxyphenyl)-N-(2-phenylcyclopropyl)pyridazine-4-carboxamide
CID 137277872
[4-[6-(2-Hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone
CID 145145592

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide?
The IUPAC name of 3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide (CID 137045899) is 3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide?
The canonical SMILES for 3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide is Nc1nnc(-c2ccccc2O)cc1C(=O)NCc1ccccc1.
What is the InChIKey of 3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide?
The InChIKey is JIFHOFMTFIXJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-17-14(18(24)20-11-12-6-2-1-3-7-12)10-15(21-22-17)13-8-4-5-9-16(13)23/h1-10,23H,11H2,(H2,19,22)(H,20,24).
What are the key properties of 3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide?
3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 137045899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).