6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide

C19H25N9O — CID 164599326

IUPAC6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2cnc(C#N)cn2)cc1NC1CCC(N(C)C)CC1
InChIInChI=1S/C19H25N9O/c1-21-19(29)18-15(24-12-4-6-14(7-5-12)28(2)3)8-16(26-27-18)25-17-11-22-13(9-20)10-23-17/h8,10-12,14H,4-7H2,1-3H3,(H,21,29)(H2,23,24,25,26)
InChIKeyCJJUCANTBBMYBG-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.53
Rot. Bonds6

About 6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide

6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 164599326) has the molecular formula C19H25N9O and a molecular weight of 395.47 g/mol. Its IUPAC name is 6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
PubChem CID164599326
Molecular FormulaC19H25N9O
Molecular Weight395.47 g/mol
Exact Mass395.22
IUPAC Name6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2cnc(C#N)cn2)cc1NC1CCC(N(C)C)CC1
InChIInChI=1S/C19H25N9O/c1-21-19(29)18-15(24-12-4-6-14(7-5-12)28(2)3)8-16(26-27-18)25-17-11-22-13(9-20)10-23-17/h8,10-12,14H,4-7H2,1-3H3,(H,21,29)(H2,23,24,25,26)
InChIKeyCJJUCANTBBMYBG-UHFFFAOYSA-N
XLogP1.53
TPSA131.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide with MolForge

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Related Compounds

4-(1-azaspiro[3.5]nonan-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide
CID 164599198
4-(2-azaspiro[5.5]undecan-9-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide
CID 164599187
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]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide
CID 164598963
4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide
CID 164599336
6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane
CID 167696088
5-[[6-(3-cyclopentyl-3-hydroxyprop-1-ynyl)-5-[[3-(methylamino)cyclopentyl]amino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164598853
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
5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164598960
6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide
CID 164598967
5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 59613364
5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594757

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide (CID 164599326) is 6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2cnc(C#N)cn2)cc1NC1CCC(N(C)C)CC1.
What is the InChIKey of 6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is CJJUCANTBBMYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N9O/c1-21-19(29)18-15(24-12-4-6-14(7-5-12)28(2)3)8-16(26-27-18)25-17-11-22-13(9-20)10-23-17/h8,10-12,14H,4-7H2,1-3H3,(H,21,29)(H2,23,24,25,26).
What are the key properties of 6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide?
6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 164599326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).