N-[(2-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide

C15H23N3O3 — CID 64929304

IUPACN-[(2-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC2CCCCC2O)ccc1=O
InChIInChI=1S/C15H23N3O3/c1-2-9-18-14(20)8-7-12(17-18)15(21)16-10-11-5-3-4-6-13(11)19/h7-8,11,13,19H,2-6,9-10H2,1H3,(H,16,21)
InChIKeyDFIBQGYDXFBZDR-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.93
Rot. Bonds5

About N-[(2-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 64929304) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID64929304
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC2CCCCC2O)ccc1=O
InChIInChI=1S/C15H23N3O3/c1-2-9-18-14(20)8-7-12(17-18)15(21)16-10-11-5-3-4-6-13(11)19/h7-8,11,13,19H,2-6,9-10H2,1H3,(H,16,21)
InChIKeyDFIBQGYDXFBZDR-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 64929304) is N-[(2-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCC2CCCCC2O)ccc1=O.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is DFIBQGYDXFBZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-9-18-14(20)8-7-12(17-18)15(21)16-10-11-5-3-4-6-13(11)19/h7-8,11,13,19H,2-6,9-10H2,1H3,(H,16,21).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 64929304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).