5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one

C19H27N5O — CID 124881433

IUPAC5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one
SMILESCc1cc(N2CCC[C@@H](n3ncc(N(C)C(C)C)cc3=O)C2)ccn1
InChIInChI=1S/C19H27N5O/c1-14(2)22(4)18-11-19(25)24(21-12-18)17-6-5-9-23(13-17)16-7-8-20-15(3)10-16/h7-8,10-12,14,17H,5-6,9,13H2,1-4H3/t17-/m1/s1
InChIKeyISIXECAMIGVLTA-QGZVFWFLSA-N
MW341.46 g/mol
LogP2.63
Rot. Bonds4

About 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one

5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one (PubChem CID 124881433) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one
PubChem CID124881433
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one
SMILESCc1cc(N2CCC[C@@H](n3ncc(N(C)C(C)C)cc3=O)C2)ccn1
InChIInChI=1S/C19H27N5O/c1-14(2)22(4)18-11-19(25)24(21-12-18)17-6-5-9-23(13-17)16-7-8-20-15(3)10-16/h7-8,10-12,14,17H,5-6,9,13H2,1-4H3/t17-/m1/s1
InChIKeyISIXECAMIGVLTA-QGZVFWFLSA-N
XLogP2.63
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one
CID 124881432
2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride
CID 120857935
5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one
CID 129323669
2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
CID 122139461
2-[(3R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
CID 129324233
5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one
CID 129325553
2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
CID 128524139
6-[[2-[(3R)-3-[4-[methyl(propan-2-yl)amino]-6-oxopyridazin-1-yl]piperidin-1-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile
CID 129324157
5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 129324133
4-chloro-1-(2-methyl-4-pyridinyl)azepane
CID 131020856
2-methyl-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine
CID 126946437
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one (CID 124881433) is 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one is Cc1cc(N2CCC[C@@H](n3ncc(N(C)C(C)C)cc3=O)C2)ccn1.
What is the InChIKey of 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one?
The InChIKey is ISIXECAMIGVLTA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14(2)22(4)18-11-19(25)24(21-12-18)17-6-5-9-23(13-17)16-7-8-20-15(3)10-16/h7-8,10-12,14,17H,5-6,9,13H2,1-4H3/t17-/m1/s1.
What are the key properties of 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one?
5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one has a molecular weight of 341.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 124881433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).