6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate

C45H57Cl3N18O7 — CID 167685994

IUPAC6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate
SMILESCNC(=O)c1nnc(Cl)cc1NCC1CCOCC1.CNC(=O)c1nnc(Nc2cnc(C#N)cn2)cc1NCC1CCOCC1.COC(=O)c1nnc(Cl)cc1NCC1CCOCC1.Nc1cnc(Cl)cn1
InChIInChI=1S/C17H20N8O2.C12H17ClN4O2.C12H16ClN3O3.C4H4ClN3/c1-19-17(26)16-13(21-8-11-2-4-27-5-3-11)6-14(24-25-16)23-15-10-20-12(7-18)9-22-15;1-14-12(18)11-9(6-10(13)16-17-11)15-7-8-2-4-19-5-3-8;1-18-12(17)11-9(6-10(13)15-16-11)14-7-8-2-4-19-5-3-8;5-3-1-8-4(6)2-7-3/h6,9-11H,2-5,8H2,1H3,(H,19,26)(H2,21,22,23,24);6,8H,2-5,7H2,1H3,(H,14,18)(H,15,16);6,8H,2-5,7H2,1H3,(H,14,15);1-2H,(H2,6,8)
InChIKeyWFNRHFBKEYGWFB-UHFFFAOYSA-N
MW1068.43 g/mol
LogP4.88
Rot. Bonds14

About 6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate

6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate (PubChem CID 167685994) has the molecular formula C45H57Cl3N18O7 and a molecular weight of 1068.43 g/mol. Its IUPAC name is 6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate.

Molecular Properties

Compound Name6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate
PubChem CID167685994
Molecular FormulaC45H57Cl3N18O7
Molecular Weight1068.43 g/mol
Exact Mass1066.37
IUPAC Name6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate
SMILESCNC(=O)c1nnc(Cl)cc1NCC1CCOCC1.CNC(=O)c1nnc(Nc2cnc(C#N)cn2)cc1NCC1CCOCC1.COC(=O)c1nnc(Cl)cc1NCC1CCOCC1.Nc1cnc(Cl)cn1
InChIInChI=1S/C17H20N8O2.C12H17ClN4O2.C12H16ClN3O3.C4H4ClN3/c1-19-17(26)16-13(21-8-11-2-4-27-5-3-11)6-14(24-25-16)23-15-10-20-12(7-18)9-22-15;1-14-12(18)11-9(6-10(13)16-17-11)15-7-8-2-4-19-5-3-8;1-18-12(17)11-9(6-10(13)15-16-11)14-7-8-2-4-19-5-3-8;5-3-1-8-4(6)2-7-3/h6,9-11H,2-5,8H2,1H3,(H,19,26)(H2,21,22,23,24);6,8H,2-5,7H2,1H3,(H,14,18)(H,15,16);6,8H,2-5,7H2,1H3,(H,14,15);1-2H,(H2,6,8)
InChIKeyWFNRHFBKEYGWFB-UHFFFAOYSA-N
XLogP4.88
TPSA339.02 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001068.43
LogP ≤ 54.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate with MolForge

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Related Compounds

5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate
CID 167535623
6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane
CID 167696088
6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 164599326
6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide
CID 164598963
4-(1-azaspiro[3.5]nonan-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide
CID 164599198
5-[[5-(piperidin-4-ylmethylamino)-6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164599291
4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide
CID 164599196
6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide
CID 164598967
5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167633129
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridine-3-carboxylate
CID 59613326
4-(2-azaspiro[5.5]undecan-9-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide
CID 164599187
tert-butyl 4-[[[5-amino-2-[(5-cyanopyrazin-2-yl)amino]-4-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 59613544

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate?
The IUPAC name of 6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate (CID 167685994) is 6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate.
What is the SMILES notation for 6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate?
The canonical SMILES for 6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate is CNC(=O)c1nnc(Cl)cc1NCC1CCOCC1.CNC(=O)c1nnc(Nc2cnc(C#N)cn2)cc1NCC1CCOCC1.COC(=O)c1nnc(Cl)cc1NCC1CCOCC1.Nc1cnc(Cl)cn1.
What is the InChIKey of 6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate?
The InChIKey is WFNRHFBKEYGWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2.C12H17ClN4O2.C12H16ClN3O3.C4H4ClN3/c1-19-17(26)16-13(21-8-11-2-4-27-5-3-11)6-14(24-25-16)23-15-10-20-12(7-18)9-22-15;1-14-12(18)11-9(6-10(13)16-17-11)15-7-8-2-4-19-5-3-8;1-18-12(17)11-9(6-10(13)15-16-11)14-7-8-2-4-19-5-3-8;5-3-1-8-4(6)2-7-3/h6,9-11H,2-5,8H2,1H3,(H,19,26)(H2,21,22,23,24);6,8H,2-5,7H2,1H3,(H,14,18)(H,15,16);6,8H,2-5,7H2,1H3,(H,14,15);1-2H,(H2,6,8).
What are the key properties of 6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate?
6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate has a molecular weight of 1068.43 g/mol, XLogP of 4.88, 14 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate is sourced from PubChem (CID 167685994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).