6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide

C22H26N8O3 — CID 167705488

IUPAC6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
SMILESCCc1cc(Nc2cc(NC(=O)C3CC3)nnc2C(=O)NC)c(OC)c(-c2cnn(C)n2)c1
InChIInChI=1S/C22H26N8O3/c1-5-12-8-14(17-11-24-30(3)29-17)20(33-4)16(9-12)25-15-10-18(26-21(31)13-6-7-13)27-28-19(15)22(32)23-2/h8-11,13H,5-7H2,1-4H3,(H,23,32)(H2,25,26,27,31)
InChIKeyBABDEKWGJMWJTD-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.29
Rot. Bonds8

About 6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide (PubChem CID 167705488) has the molecular formula C22H26N8O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
PubChem CID167705488
Molecular FormulaC22H26N8O3
Molecular Weight450.50 g/mol
Exact Mass450.21
IUPAC Name6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
SMILESCCc1cc(Nc2cc(NC(=O)C3CC3)nnc2C(=O)NC)c(OC)c(-c2cnn(C)n2)c1
InChIInChI=1S/C22H26N8O3/c1-5-12-8-14(17-11-24-30(3)29-17)20(33-4)16(9-12)25-15-10-18(26-21(31)13-6-7-13)27-28-19(15)22(32)23-2/h8-11,13H,5-7H2,1-4H3,(H,23,32)(H2,25,26,27,31)
InChIKeyBABDEKWGJMWJTD-UHFFFAOYSA-N
XLogP2.29
TPSA135.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 167672513
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[2-(trideuteriomethyl)triazol-4-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822315
3-bromo-2,5-dimethoxyaniline;6-(cyclopropanecarbonylamino)-4-[2,5-dimethoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide;2,5-dimethoxy-3-(2-methyltriazol-4-yl)aniline;(2-methyltriazol-4-yl)boronic acid
CID 167569370
4-[5-chloro-3-(2-ethyltriazol-4-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 172815649
6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-5-fluoro-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822314
6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166510214
6-(cyclopropanecarbonylamino)-4-[3-[2-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584963
6-(cyclopropanecarbonylamino)-4-[3-[2-[2-(methanesulfonamido)ethyl]triazol-4-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584870
6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 167560703
4-[3-[1-(2-aminoethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 170928308
2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]pyrimidine-5-carboxylic acid
CID 157028739
6-(cyclopropanecarbonylamino)-4-[5-fluoro-3-[5-(1-hydroxyethyl)pyrazin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166492838

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide (CID 167705488) is 6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide is CCc1cc(Nc2cc(NC(=O)C3CC3)nnc2C(=O)NC)c(OC)c(-c2cnn(C)n2)c1.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide?
The InChIKey is BABDEKWGJMWJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O3/c1-5-12-8-14(17-11-24-30(3)29-17)20(33-4)16(9-12)25-15-10-18(26-21(31)13-6-7-13)27-28-19(15)22(32)23-2/h8-11,13H,5-7H2,1-4H3,(H,23,32)(H2,25,26,27,31).
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 167705488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).