2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C19H24N4O — CID 126935391

IUPAC2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCc1cc(NC2CCC(n3nc4c(cc3=O)CCC4)CC2)ccn1
InChIInChI=1S/C19H24N4O/c1-13-11-16(9-10-20-13)21-15-5-7-17(8-6-15)23-19(24)12-14-3-2-4-18(14)22-23/h9-12,15,17H,2-8H2,1H3,(H,20,21)
InChIKeyOAIVGKSNXREKHX-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.03
Rot. Bonds3

About 2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126935391) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126935391
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCc1cc(NC2CCC(n3nc4c(cc3=O)CCC4)CC2)ccn1
InChIInChI=1S/C19H24N4O/c1-13-11-16(9-10-20-13)21-15-5-7-17(8-6-15)23-19(24)12-14-3-2-4-18(14)22-23/h9-12,15,17H,2-8H2,1H3,(H,20,21)
InChIKeyOAIVGKSNXREKHX-UHFFFAOYSA-N
XLogP3.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one with MolForge

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Related Compounds

2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935481
2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935702
2-[4-[(1-methyl-6-oxopyridazin-3-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935562
2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935418
2-[4-(cyclopropylmethylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935392
2-[4-(thian-4-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935544
2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935733
2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935460
2-[4-[(5-methylfuran-2-yl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935433
6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one
CID 126934872
2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935447
2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935715

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126935391) is 2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is Cc1cc(NC2CCC(n3nc4c(cc3=O)CCC4)CC2)ccn1.
What is the InChIKey of 2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is OAIVGKSNXREKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-11-16(9-10-20-13)21-15-5-7-17(8-6-15)23-19(24)12-14-3-2-4-18(14)22-23/h9-12,15,17H,2-8H2,1H3,(H,20,21).
What are the key properties of 2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 324.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126935391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).