6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide

C15H17ClN4O2 — CID 133341092

IUPAC6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide
SMILESCc1cccc(OC(C)CNc2nnc(Cl)cc2C(N)=O)c1
InChIInChI=1S/C15H17ClN4O2/c1-9-4-3-5-11(6-9)22-10(2)8-18-15-12(14(17)21)7-13(16)19-20-15/h3-7,10H,8H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyFKFICVGSJGPZDV-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.42
Rot. Bonds6

About 6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide

6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide (PubChem CID 133341092) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide
PubChem CID133341092
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide
SMILESCc1cccc(OC(C)CNc2nnc(Cl)cc2C(N)=O)c1
InChIInChI=1S/C15H17ClN4O2/c1-9-4-3-5-11(6-9)22-10(2)8-18-15-12(14(17)21)7-13(16)19-20-15/h3-7,10H,8H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyFKFICVGSJGPZDV-UHFFFAOYSA-N
XLogP2.42
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-[(4-hydroxy-2-methylbutyl)amino]pyridazine-4-carboxamide
CID 133341299
2-methyl-4-[1-(methylamino)propan-2-yloxy]benzamide
CID 81275945
5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid
CID 122048078
2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline
CID 54797800
methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
CID 64708498
2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide
CID 119804958
2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804933
2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride
CID 119804957
3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 46736308
3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide
CID 133399661
4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride
CID 119335746
3-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111685705

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide (CID 133341092) is 6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide is Cc1cccc(OC(C)CNc2nnc(Cl)cc2C(N)=O)c1.
What is the InChIKey of 6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide?
The InChIKey is FKFICVGSJGPZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-9-4-3-5-11(6-9)22-10(2)8-18-15-12(14(17)21)7-13(16)19-20-15/h3-7,10H,8H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of 6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide?
6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide is sourced from PubChem (CID 133341092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).