N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide

C21H23N5O2 — CID 109115485

IUPACN-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)nn1
InChIInChI=1S/C21H23N5O2/c1-26(2)15-14-22-21(27)18-12-13-20(25-24-18)23-17-10-6-7-11-19(17)28-16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyAQFVVMQZXRVNAZ-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.30
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide

N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide (PubChem CID 109115485) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide
PubChem CID109115485
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)nn1
InChIInChI=1S/C21H23N5O2/c1-26(2)15-14-22-21(27)18-12-13-20(25-24-18)23-17-10-6-7-11-19(17)28-16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyAQFVVMQZXRVNAZ-UHFFFAOYSA-N
XLogP3.30
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109111323
N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109115424
N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109116087
N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109116042
N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109112427
N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109115481
N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109115425
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
N-[2-(dimethylamino)ethyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109115407
6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide
CID 109125507
6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115449
6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122427

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide (CID 109115485) is N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide is CN(C)CCNC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)nn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide?
The InChIKey is AQFVVMQZXRVNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-26(2)15-14-22-21(27)18-12-13-20(25-24-18)23-17-10-6-7-11-19(17)28-16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3,(H,22,27)(H,23,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109115485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).