4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide

C22H25N7O4 — CID 123427816

IUPAC4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)NCCOC)c1OC
InChIInChI=1S/C22H25N7O4/c1-23-22(31)19-16(13-18(28-29-19)27-17-9-4-5-10-24-17)26-15-8-6-7-14(20(15)33-3)21(30)25-11-12-32-2/h4-10,13H,11-12H2,1-3H3,(H,23,31)(H,25,30)(H2,24,26,27,28)
InChIKeyZRZDGACSFQRZHO-UHFFFAOYSA-N
MW451.49 g/mol
LogP2.10
Rot. Bonds10

About 4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide

4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide (PubChem CID 123427816) has the molecular formula C22H25N7O4 and a molecular weight of 451.49 g/mol. Its IUPAC name is 4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
PubChem CID123427816
Molecular FormulaC22H25N7O4
Molecular Weight451.49 g/mol
Exact Mass451.20
IUPAC Name4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)NCCOC)c1OC
InChIInChI=1S/C22H25N7O4/c1-23-22(31)19-16(13-18(28-29-19)27-17-9-4-5-10-24-17)26-15-8-6-7-14(20(15)33-3)21(30)25-11-12-32-2/h4-10,13H,11-12H2,1-3H3,(H,23,31)(H,25,30)(H2,24,26,27,28)
InChIKeyZRZDGACSFQRZHO-UHFFFAOYSA-N
XLogP2.10
TPSA139.39 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[[4-(cyclopentanecarbonylamino)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 171347552
4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138911330
4-(3-cyano-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;N-methyl-4-[2-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
CID 157271769
4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 158922092
2-anilino-N-(2-methoxyethyl)benzamide
CID 27659255
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
6-[(1,1-dioxothietane-3-carbonyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 166780262
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 159860536
methyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate
CID 22076450
N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711
4-(2-methoxy-3-pyrimidin-2-ylanilino)-6-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028725
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(pyridin-2-ylsulfonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157021012

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
The IUPAC name of 4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide (CID 123427816) is 4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for 4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)NCCOC)c1OC.
What is the InChIKey of 4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
The InChIKey is ZRZDGACSFQRZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O4/c1-23-22(31)19-16(13-18(28-29-19)27-17-9-4-5-10-24-17)26-15-8-6-7-14(20(15)33-3)21(30)25-11-12-32-2/h4-10,13H,11-12H2,1-3H3,(H,23,31)(H,25,30)(H2,24,26,27,28).
What are the key properties of 4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide has a molecular weight of 451.49 g/mol, XLogP of 2.10, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 123427816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).