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

C19H27N5O — CID 124881432

IUPAC5-[methyl(propan-2-yl)amino]-2-[(3S)-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-/m0/s1
InChIKeyISIXECAMIGVLTA-KRWDZBQOSA-N
MW341.46 g/mol
LogP2.63
Rot. Bonds4

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

5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one (PubChem CID 124881432) 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-[(3S)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one
PubChem CID124881432
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name5-[methyl(propan-2-yl)amino]-2-[(3S)-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-/m0/s1
InChIKeyISIXECAMIGVLTA-KRWDZBQOSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one (CID 124881432) is 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 5-[methyl(propan-2-yl)amino]-2-[(3S)-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-[(3S)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one?
The InChIKey is ISIXECAMIGVLTA-KRWDZBQOSA-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-/m0/s1.
What are the key properties of 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one?
5-[methyl(propan-2-yl)amino]-2-[(3S)-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-[(3S)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 124881432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).