3-amino-6-(2-hydroxyphenyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyridazine-4-carboxamide

C20H18N4O2 — CID 137029452

IUPAC3-amino-6-(2-hydroxyphenyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyridazine-4-carboxamide
SMILESNc1nnc(-c2ccccc2O)cc1C(=O)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C20H18N4O2/c21-19-15(11-17(23-24-19)13-8-4-5-9-18(13)25)20(26)22-16-10-14(16)12-6-2-1-3-7-12/h1-9,11,14,16,25H,10H2,(H2,21,24)(H,22,26)/t14-,16+/m0/s1
InChIKeyQFWBRPFWXGRAHS-GOEBONIOSA-N
MW346.39 g/mol
LogP2.72
Rot. Bonds4

About 3-amino-6-(2-hydroxyphenyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyridazine-4-carboxamide

3-amino-6-(2-hydroxyphenyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyridazine-4-carboxamide (PubChem CID 137029452) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-amino-6-(2-hydroxyphenyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2-hydroxyphenyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyridazine-4-carboxamide
PubChem CID137029452
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-amino-6-(2-hydroxyphenyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyridazine-4-carboxamide
SMILESNc1nnc(-c2ccccc2O)cc1C(=O)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C20H18N4O2/c21-19-15(11-17(23-24-19)13-8-4-5-9-18(13)25)20(26)22-16-10-14(16)12-6-2-1-3-7-12/h1-9,11,14,16,25H,10H2,(H2,21,24)(H,22,26)/t14-,16+/m0/s1
InChIKeyQFWBRPFWXGRAHS-GOEBONIOSA-N
XLogP2.72
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide
CID 137045899
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
3-amino-6-(2-hydroxyphenyl)-N-(2-phenylcyclopropyl)pyridazine-4-carboxamide
CID 137277872
2-[6-amino-5-[hydroxy-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyridazin-3-yl]phenol
CID 137291794
N-[2-amino-3-[3-(2-hydroxyphenyl)phenyl]cyclopropyl]pyridazine-4-carboxamide
CID 140854725
N-[[(1R,3S,6S)-3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-6-methylcyclooctyl]methyl]acetamide
CID 145145593
N-[[(1R,3R,5S)-3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-5-methylcycloheptyl]methyl]acetamide
CID 145145740
9-(2-Hydroxyphenyl)-2,3,4,6-tetrahydropyridazino[3,4-c][2,6]naphthyridine-1,5-dione
CID 156562178
(4R)-4-amino-14-(2-hydroxyphenyl)-10,12,13-triazatricyclo[9.4.0.03,5]pentadeca-1(15),11,13-trien-9-one
CID 156562341
(4S)-4-amino-14-(2-hydroxyphenyl)-10,12,13-triazatricyclo[9.4.0.03,5]pentadeca-1(15),11,13-trien-9-one
CID 156562348
1-[(1R,5S)-7-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-9-azabicyclo[3.3.1]nonan-3-yl]ethanone
CID 163880488

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-hydroxyphenyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyridazine-4-carboxamide?
The IUPAC name of 3-amino-6-(2-hydroxyphenyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyridazine-4-carboxamide (CID 137029452) is 3-amino-6-(2-hydroxyphenyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3-amino-6-(2-hydroxyphenyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyridazine-4-carboxamide?
The canonical SMILES for 3-amino-6-(2-hydroxyphenyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyridazine-4-carboxamide is Nc1nnc(-c2ccccc2O)cc1C(=O)N[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of 3-amino-6-(2-hydroxyphenyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyridazine-4-carboxamide?
The InChIKey is QFWBRPFWXGRAHS-GOEBONIOSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-19-15(11-17(23-24-19)13-8-4-5-9-18(13)25)20(26)22-16-10-14(16)12-6-2-1-3-7-12/h1-9,11,14,16,25H,10H2,(H2,21,24)(H,22,26)/t14-,16+/m0/s1.
What are the key properties of 3-amino-6-(2-hydroxyphenyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyridazine-4-carboxamide?
3-amino-6-(2-hydroxyphenyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyridazine-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-hydroxyphenyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyridazine-4-carboxamide is sourced from PubChem (CID 137029452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).