N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide

C19H29N5O3 — CID 53056304

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
SMILESCc1nn(CC(=O)NCCCN(C)C2CCCCC2)c(=O)c2noc(C)c12
InChIInChI=1S/C19H29N5O3/c1-13-17-14(2)27-22-18(17)19(26)24(21-13)12-16(25)20-10-7-11-23(3)15-8-5-4-6-9-15/h15H,4-12H2,1-3H3,(H,20,25)
InChIKeyJTEWOJUXXDYUPI-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.77
Rot. Bonds7

About N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide

N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide (PubChem CID 53056304) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
PubChem CID53056304
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
SMILESCc1nn(CC(=O)NCCCN(C)C2CCCCC2)c(=O)c2noc(C)c12
InChIInChI=1S/C19H29N5O3/c1-13-17-14(2)27-22-18(17)19(26)24(21-13)12-16(25)20-10-7-11-23(3)15-8-5-4-6-9-15/h15H,4-12H2,1-3H3,(H,20,25)
InChIKeyJTEWOJUXXDYUPI-UHFFFAOYSA-N
XLogP1.77
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide (CID 53056304) is N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide is Cc1nn(CC(=O)NCCCN(C)C2CCCCC2)c(=O)c2noc(C)c12.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
The InChIKey is JTEWOJUXXDYUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-13-17-14(2)27-22-18(17)19(26)24(21-13)12-16(25)20-10-7-11-23(3)15-8-5-4-6-9-15/h15H,4-12H2,1-3H3,(H,20,25).
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide is sourced from PubChem (CID 53056304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).