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

C24H29N5O4 — CID 134604565

IUPACN-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
SMILESCCOC1CCC(NC(=O)c2ccc(OCc3c(-c4ccc(C)nc4)noc3C)nn2)CC1
InChIInChI=1S/C24H29N5O4/c1-4-31-19-9-7-18(8-10-19)26-24(30)21-11-12-22(28-27-21)32-14-20-16(3)33-29-23(20)17-6-5-15(2)25-13-17/h5-6,11-13,18-19H,4,7-10,14H2,1-3H3,(H,26,30)
InChIKeyMQWOHTJLMXPEIA-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.80
Rot. Bonds8

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

N-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide (PubChem CID 134604565) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
PubChem CID134604565
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC NameN-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
SMILESCCOC1CCC(NC(=O)c2ccc(OCc3c(-c4ccc(C)nc4)noc3C)nn2)CC1
InChIInChI=1S/C24H29N5O4/c1-4-31-19-9-7-18(8-10-19)26-24(30)21-11-12-22(28-27-21)32-14-20-16(3)33-29-23(20)17-6-5-15(2)25-13-17/h5-6,11-13,18-19H,4,7-10,14H2,1-3H3,(H,26,30)
InChIKeyMQWOHTJLMXPEIA-UHFFFAOYSA-N
XLogP3.80
TPSA112.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
The IUPAC name of N-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide (CID 134604565) is N-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
The canonical SMILES for N-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide is CCOC1CCC(NC(=O)c2ccc(OCc3c(-c4ccc(C)nc4)noc3C)nn2)CC1.
What is the InChIKey of N-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
The InChIKey is MQWOHTJLMXPEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-4-31-19-9-7-18(8-10-19)26-24(30)21-11-12-22(28-27-21)32-14-20-16(3)33-29-23(20)17-6-5-15(2)25-13-17/h5-6,11-13,18-19H,4,7-10,14H2,1-3H3,(H,26,30).
What are the key properties of N-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
N-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide is sourced from PubChem (CID 134604565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).