6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide

C18H22ClN5O2 — CID 109115731

IUPAC6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCCN3CCOCC3)nn2)cc1Cl
InChIInChI=1S/C18H22ClN5O2/c1-13-2-3-14(12-15(13)19)21-17-5-4-16(22-23-17)18(25)20-6-7-24-8-10-26-11-9-24/h2-5,12H,6-11H2,1H3,(H,20,25)(H,21,23)
InChIKeyVXWGVNSMHYOITE-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.24
Rot. Bonds6

About 6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide

6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide (PubChem CID 109115731) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
PubChem CID109115731
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCCN3CCOCC3)nn2)cc1Cl
InChIInChI=1S/C18H22ClN5O2/c1-13-2-3-14(12-15(13)19)21-17-5-4-16(22-23-17)18(25)20-6-7-24-8-10-26-11-9-24/h2-5,12H,6-11H2,1H3,(H,20,25)(H,21,23)
InChIKeyVXWGVNSMHYOITE-UHFFFAOYSA-N
XLogP2.24
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,6-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115771
6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115775
N-(2-morpholin-4-ylethyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115507
6-(2-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115723
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide
CID 109117925
6-(2-methylpropylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109110974
6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344634
N-(3,5-dichlorophenyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115633
6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115691
6-(3-chloroanilino)-2-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109366518
5-(2,6-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185766

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide (CID 109115731) is 6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide is Cc1ccc(Nc2ccc(C(=O)NCCN3CCOCC3)nn2)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide?
The InChIKey is VXWGVNSMHYOITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-13-2-3-14(12-15(13)19)21-17-5-4-16(22-23-17)18(25)20-6-7-24-8-10-26-11-9-24/h2-5,12H,6-11H2,1H3,(H,20,25)(H,21,23).
What are the key properties of 6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide?
6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109115731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).