N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide

C14H15IN4O — CID 62167021

IUPACN-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccccc2I)nn1
InChIInChI=1S/C14H15IN4O/c1-2-9-16-13-8-7-12(18-19-13)14(20)17-11-6-4-3-5-10(11)15/h3-8H,2,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyHNLNXEIFKCFONN-UHFFFAOYSA-N
MW382.21 g/mol
LogP3.16
Rot. Bonds5

About N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide

N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide (PubChem CID 62167021) has the molecular formula C14H15IN4O and a molecular weight of 382.21 g/mol. Its IUPAC name is N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide
PubChem CID62167021
Molecular FormulaC14H15IN4O
Molecular Weight382.21 g/mol
Exact Mass382.03
IUPAC NameN-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccccc2I)nn1
InChIInChI=1S/C14H15IN4O/c1-2-9-16-13-8-7-12(18-19-13)14(20)17-11-6-4-3-5-10(11)15/h3-8H,2,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyHNLNXEIFKCFONN-UHFFFAOYSA-N
XLogP3.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.21
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109147
N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 107643067
6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109110690
6-hydrazinyl-N-(2-iodophenyl)pyridazine-3-carboxamide
CID 62243106
3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62167329
N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166866
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-(1,3-dimethylpyrazol-4-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 102807260
6-chloro-N-(2-iodophenyl)pyridazine-3-carboxamide
CID 54927074
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
6-(propylamino)-N-thiophen-3-ylpyridazine-3-carboxamide
CID 66353573
6-amino-N-(2-iodophenyl)pyridazine-3-carboxamide
CID 55042020

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide (CID 62167021) is N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide is CCCNc1ccc(C(=O)Nc2ccccc2I)nn1.
What is the InChIKey of N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide?
The InChIKey is HNLNXEIFKCFONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN4O/c1-2-9-16-13-8-7-12(18-19-13)14(20)17-11-6-4-3-5-10(11)15/h3-8H,2,9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide?
N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide has a molecular weight of 382.21 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 62167021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).