N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide

C18H31N3O2 — CID 52564125

IUPACN,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CCC(C)C)CCC(C)C)ccc1=O
InChIInChI=1S/C18H31N3O2/c1-6-11-21-17(22)8-7-16(19-21)18(23)20(12-9-14(2)3)13-10-15(4)5/h7-8,14-15H,6,9-13H2,1-5H3
InChIKeyXNZQGQZQNANFGJ-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.19
Rot. Bonds9

About N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide

N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 52564125) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID52564125
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC NameN,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CCC(C)C)CCC(C)C)ccc1=O
InChIInChI=1S/C18H31N3O2/c1-6-11-21-17(22)8-7-16(19-21)18(23)20(12-9-14(2)3)13-10-15(4)5/h7-8,14-15H,6,9-13H2,1-5H3
InChIKeyXNZQGQZQNANFGJ-UHFFFAOYSA-N
XLogP3.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 52564125) is N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)N(CCC(C)C)CCC(C)C)ccc1=O.
What is the InChIKey of N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is XNZQGQZQNANFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-6-11-21-17(22)8-7-16(19-21)18(23)20(12-9-14(2)3)13-10-15(4)5/h7-8,14-15H,6,9-13H2,1-5H3.
What are the key properties of N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 52564125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).