N-[2-amino-3-[3-(2-hydroxyphenyl)phenyl]cyclopropyl]pyridazine-4-carboxamide

C20H18N4O2 — CID 140854725

IUPACN-[2-amino-3-[3-(2-hydroxyphenyl)phenyl]cyclopropyl]pyridazine-4-carboxamide
SMILESNC1C(NC(=O)c2ccnnc2)C1c1cccc(-c2ccccc2O)c1
InChIInChI=1S/C20H18N4O2/c21-18-17(19(18)24-20(26)14-8-9-22-23-11-14)13-5-3-4-12(10-13)15-6-1-2-7-16(15)25/h1-11,17-19,25H,21H2,(H,24,26)
InChIKeyOPDWOYHRHAOFSA-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.07
Rot. Bonds4

About N-[2-amino-3-[3-(2-hydroxyphenyl)phenyl]cyclopropyl]pyridazine-4-carboxamide

N-[2-amino-3-[3-(2-hydroxyphenyl)phenyl]cyclopropyl]pyridazine-4-carboxamide (PubChem CID 140854725) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-amino-3-[3-(2-hydroxyphenyl)phenyl]cyclopropyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-3-[3-(2-hydroxyphenyl)phenyl]cyclopropyl]pyridazine-4-carboxamide
PubChem CID140854725
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[2-amino-3-[3-(2-hydroxyphenyl)phenyl]cyclopropyl]pyridazine-4-carboxamide
SMILESNC1C(NC(=O)c2ccnnc2)C1c1cccc(-c2ccccc2O)c1
InChIInChI=1S/C20H18N4O2/c21-18-17(19(18)24-20(26)14-8-9-22-23-11-14)13-5-3-4-12(10-13)15-6-1-2-7-16(15)25/h1-11,17-19,25H,21H2,(H,24,26)
InChIKeyOPDWOYHRHAOFSA-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

US10308614, Example 235
CID 137029452
3-Fluoro-23-hydroxy-12-(4-pyridazinylcarbonyl)-8,12,17-triazatricyclo[18.3.1.1~2,6~]pentacosa-1(24),2(25),3,5,20,22-hexaene-7,16-dione
CID 172424367
1-[3-(2-Hydroxyphenyl)-2,6-dimethyl-2-pyridazin-4-ylpiperazin-1-yl]ethanone
CID 122507942
N-[3-(5-carbamimidoyl-2-hydroxyphenyl)propyl]-4-pyridazin-4-ylbenzamide
CID 136102374
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
4-{2-[1-(Pyridazin-4-ylcarbonyl)piperidin-2-yl]ethyl}phenol
CID 90650108
[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 100053579
[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 100053581
N-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide
CID 112705412
N-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide
CID 112705413
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide
CID 112706629

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-[3-(2-hydroxyphenyl)phenyl]cyclopropyl]pyridazine-4-carboxamide?
The IUPAC name of N-[2-amino-3-[3-(2-hydroxyphenyl)phenyl]cyclopropyl]pyridazine-4-carboxamide (CID 140854725) is N-[2-amino-3-[3-(2-hydroxyphenyl)phenyl]cyclopropyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[2-amino-3-[3-(2-hydroxyphenyl)phenyl]cyclopropyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[2-amino-3-[3-(2-hydroxyphenyl)phenyl]cyclopropyl]pyridazine-4-carboxamide is NC1C(NC(=O)c2ccnnc2)C1c1cccc(-c2ccccc2O)c1.
What is the InChIKey of N-[2-amino-3-[3-(2-hydroxyphenyl)phenyl]cyclopropyl]pyridazine-4-carboxamide?
The InChIKey is OPDWOYHRHAOFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-18-17(19(18)24-20(26)14-8-9-22-23-11-14)13-5-3-4-12(10-13)15-6-1-2-7-16(15)25/h1-11,17-19,25H,21H2,(H,24,26).
What are the key properties of N-[2-amino-3-[3-(2-hydroxyphenyl)phenyl]cyclopropyl]pyridazine-4-carboxamide?
N-[2-amino-3-[3-(2-hydroxyphenyl)phenyl]cyclopropyl]pyridazine-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-[3-(2-hydroxyphenyl)phenyl]cyclopropyl]pyridazine-4-carboxamide is sourced from PubChem (CID 140854725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).