N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide

C22H25N5O4 — CID 139529922

IUPACN-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
SMILESCOC1CCC(NC(=O)c2ccc(OCc3c(-c4ccc(C)nc4)noc3C)nn2)C1
InChIInChI=1S/C22H25N5O4/c1-13-4-5-15(11-23-13)21-18(14(2)31-27-21)12-30-20-9-8-19(25-26-20)22(28)24-16-6-7-17(10-16)29-3/h4-5,8-9,11,16-17H,6-7,10,12H2,1-3H3,(H,24,28)
InChIKeyYUBXINUNAGILPI-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.02
Rot. Bonds7

About N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide

N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide (PubChem CID 139529922) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
PubChem CID139529922
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC NameN-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
SMILESCOC1CCC(NC(=O)c2ccc(OCc3c(-c4ccc(C)nc4)noc3C)nn2)C1
InChIInChI=1S/C22H25N5O4/c1-13-4-5-15(11-23-13)21-18(14(2)31-27-21)12-30-20-9-8-19(25-26-20)22(28)24-16-6-7-17(10-16)29-3/h4-5,8-9,11,16-17H,6-7,10,12H2,1-3H3,(H,24,28)
InChIKeyYUBXINUNAGILPI-UHFFFAOYSA-N
XLogP3.02
TPSA112.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
The IUPAC name of N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide (CID 139529922) is N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
The canonical SMILES for N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide is COC1CCC(NC(=O)c2ccc(OCc3c(-c4ccc(C)nc4)noc3C)nn2)C1.
What is the InChIKey of N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
The InChIKey is YUBXINUNAGILPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-13-4-5-15(11-23-13)21-18(14(2)31-27-21)12-30-20-9-8-19(25-26-20)22(28)24-16-6-7-17(10-16)29-3/h4-5,8-9,11,16-17H,6-7,10,12H2,1-3H3,(H,24,28).
What are the key properties of N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide is sourced from PubChem (CID 139529922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).