6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide

C23H31N5O3 — CID 135154077

IUPAC6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide
SMILESCOc1ccc(OC2CCN(c3nnc(C(=O)NC4(C)CCCC4)cc3C)CC2)cn1
InChIInChI=1S/C23H31N5O3/c1-16-14-19(22(29)25-23(2)10-4-5-11-23)26-27-21(16)28-12-8-17(9-13-28)31-18-6-7-20(30-3)24-15-18/h6-7,14-15,17H,4-5,8-13H2,1-3H3,(H,25,29)
InChIKeyLTMOZMCKBKGTDE-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.30
Rot. Bonds6

About 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide

6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide (PubChem CID 135154077) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide
PubChem CID135154077
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide
SMILESCOc1ccc(OC2CCN(c3nnc(C(=O)NC4(C)CCCC4)cc3C)CC2)cn1
InChIInChI=1S/C23H31N5O3/c1-16-14-19(22(29)25-23(2)10-4-5-11-23)26-27-21(16)28-12-8-17(9-13-28)31-18-6-7-20(30-3)24-15-18/h6-7,14-15,17H,4-5,8-13H2,1-3H3,(H,25,29)
InChIKeyLTMOZMCKBKGTDE-UHFFFAOYSA-N
XLogP3.30
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide (CID 135154077) is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide is COc1ccc(OC2CCN(c3nnc(C(=O)NC4(C)CCCC4)cc3C)CC2)cn1.
What is the InChIKey of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide?
The InChIKey is LTMOZMCKBKGTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-16-14-19(22(29)25-23(2)10-4-5-11-23)26-27-21(16)28-12-8-17(9-13-28)31-18-6-7-20(30-3)24-15-18/h6-7,14-15,17H,4-5,8-13H2,1-3H3,(H,25,29).
What are the key properties of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide?
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide is sourced from PubChem (CID 135154077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).