N-[2-(diethylamino)-3-methylbutyl]-6-oxo-1-propylpyridazine-3-carboxamide

C17H30N4O2 — CID 43074948

IUPACN-[2-(diethylamino)-3-methylbutyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(C(C)C)N(CC)CC)ccc1=O
InChIInChI=1S/C17H30N4O2/c1-6-11-21-16(22)10-9-14(19-21)17(23)18-12-15(13(4)5)20(7-2)8-3/h9-10,13,15H,6-8,11-12H2,1-5H3,(H,18,23)
InChIKeyKYGLGDKKFGLDPI-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.75
Rot. Bonds9

About N-[2-(diethylamino)-3-methylbutyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[2-(diethylamino)-3-methylbutyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 43074948) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-methylbutyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-methylbutyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID43074948
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-[2-(diethylamino)-3-methylbutyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(C(C)C)N(CC)CC)ccc1=O
InChIInChI=1S/C17H30N4O2/c1-6-11-21-16(22)10-9-14(19-21)17(23)18-12-15(13(4)5)20(7-2)8-3/h9-10,13,15H,6-8,11-12H2,1-5H3,(H,18,23)
InChIKeyKYGLGDKKFGLDPI-UHFFFAOYSA-N
XLogP1.75
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-methylbutyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)-3-methylbutyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 43074948) is N-[2-(diethylamino)-3-methylbutyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-3-methylbutyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-3-methylbutyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCC(C(C)C)N(CC)CC)ccc1=O.
What is the InChIKey of N-[2-(diethylamino)-3-methylbutyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is KYGLGDKKFGLDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-6-11-21-16(22)10-9-14(19-21)17(23)18-12-15(13(4)5)20(7-2)8-3/h9-10,13,15H,6-8,11-12H2,1-5H3,(H,18,23).
What are the key properties of N-[2-(diethylamino)-3-methylbutyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[2-(diethylamino)-3-methylbutyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-methylbutyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 43074948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).