N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide

C16H28N4O — CID 106027845

IUPACN-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCCC(CCC)NC(=O)c1ccc(NCCC)nn1
InChIInChI=1S/C16H28N4O/c1-4-7-9-13(8-5-2)18-16(21)14-10-11-15(20-19-14)17-12-6-3/h10-11,13H,4-9,12H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyNHQPZCQCRJVALR-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.39
Rot. Bonds10

About N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide

N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide (PubChem CID 106027845) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide
PubChem CID106027845
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCCC(CCC)NC(=O)c1ccc(NCCC)nn1
InChIInChI=1S/C16H28N4O/c1-4-7-9-13(8-5-2)18-16(21)14-10-11-15(20-19-14)17-12-6-3/h10-11,13H,4-9,12H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyNHQPZCQCRJVALR-UHFFFAOYSA-N
XLogP3.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(ethylamino)-N-octan-4-ylpyridazine-3-carboxamide
CID 106027867
N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide
CID 62185105
N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide
CID 106027806
6-(ethylamino)-N-hexan-3-ylpyridazine-3-carboxamide
CID 62181112
6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109597
N-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide
CID 107818061
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide
CID 106027974
6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
CID 115669013
5-(methylamino)-N-octan-4-ylpyridine-2-carboxamide
CID 106027811
N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109143
6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide
CID 80697257

Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide?
The IUPAC name of N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide (CID 106027845) is N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide is CCCCC(CCC)NC(=O)c1ccc(NCCC)nn1.
What is the InChIKey of N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide?
The InChIKey is NHQPZCQCRJVALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-7-9-13(8-5-2)18-16(21)14-10-11-15(20-19-14)17-12-6-3/h10-11,13H,4-9,12H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide?
N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 106027845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).