5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile

C17H22N8O — CID 155595061

IUPAC5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1nnc(Nc2cnc(C#N)cn2)c(C)c1NCC1CCCNC1
InChIInChI=1S/C17H22N8O/c1-11-15(22-8-12-4-3-5-19-7-12)17(26-2)25-24-16(11)23-14-10-20-13(6-18)9-21-14/h9-10,12,19H,3-5,7-8H2,1-2H3,(H2,21,22,23,24)
InChIKeyLQHQGMIKSBLSIM-UHFFFAOYSA-N
MW354.42 g/mol
LogP1.61
Rot. Bonds6

About 5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile

5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155595061) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is 5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID155595061
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1nnc(Nc2cnc(C#N)cn2)c(C)c1NCC1CCCNC1
InChIInChI=1S/C17H22N8O/c1-11-15(22-8-12-4-3-5-19-7-12)17(26-2)25-24-16(11)23-14-10-20-13(6-18)9-21-14/h9-10,12,19H,3-5,7-8H2,1-2H3,(H2,21,22,23,24)
InChIKeyLQHQGMIKSBLSIM-UHFFFAOYSA-N
XLogP1.61
TPSA120.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile with MolForge

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Related Compounds

5-[[2-methyl-5-[[(3S)-piperidin-3-yl]methylamino]-1H-pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164599353
5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167633129
5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile
CID 80515149
(Z)-4-[[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]-methylamino]-2-methylidenebut-3-enoic acid
CID 143784570
5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 175112986
3-methoxy-4-(piperidin-3-ylmethylamino)benzonitrile
CID 113460318
5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 114600875
5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595069
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile
CID 107552437
5-[[6-(3-hydroxy-3-methylbut-1-ynyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594895
N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide
CID 42610172

Frequently Asked Questions

What is the IUPAC name of 5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 155595061) is 5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is COc1nnc(Nc2cnc(C#N)cn2)c(C)c1NCC1CCCNC1.
What is the InChIKey of 5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is LQHQGMIKSBLSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c1-11-15(22-8-12-4-3-5-19-7-12)17(26-2)25-24-16(11)23-14-10-20-13(6-18)9-21-14/h9-10,12,19H,3-5,7-8H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 354.42 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-methoxy-4-methyl-5-(piperidin-3-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155595061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).