N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide

C13H14N4O2 — CID 104668880

IUPACN-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide
SMILESNCCOc1cccc(NC(=O)c2ccnnc2)c1
InChIInChI=1S/C13H14N4O2/c14-5-7-19-12-3-1-2-11(8-12)17-13(18)10-4-6-15-16-9-10/h1-4,6,8-9H,5,7,14H2,(H,17,18)
InChIKeyZWNCBYBXRSCFNQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.07
Rot. Bonds5

About N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide

N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide (PubChem CID 104668880) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide
PubChem CID104668880
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide
SMILESNCCOc1cccc(NC(=O)c2ccnnc2)c1
InChIInChI=1S/C13H14N4O2/c14-5-7-19-12-3-1-2-11(8-12)17-13(18)10-4-6-15-16-9-10/h1-4,6,8-9H,5,7,14H2,(H,17,18)
InChIKeyZWNCBYBXRSCFNQ-UHFFFAOYSA-N
XLogP1.07
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide
CID 63121269
N-[3-(2-aminoethoxy)phenyl]-4-ethylbenzamide
CID 43369477
N-[3-(2-aminoethoxy)phenyl]-3-methoxypyridine-4-carboxamide
CID 105062895
N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide
CID 63121177
N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide
CID 107519972
N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide
CID 63121176
N-[4-(2-aminoethoxy)phenyl]pyridine-4-carboxamide
CID 43175490
N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide
CID 63121181
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide
CID 17133255
N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
CID 81481242
N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 81485538

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide (CID 104668880) is N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide is NCCOc1cccc(NC(=O)c2ccnnc2)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide?
The InChIKey is ZWNCBYBXRSCFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-5-7-19-12-3-1-2-11(8-12)17-13(18)10-4-6-15-16-9-10/h1-4,6,8-9H,5,7,14H2,(H,17,18).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide?
N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 104668880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).