6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide

C13H21N3O2 — CID 78784702

IUPAC6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(CC)CC)ccc1=O
InChIInChI=1S/C13H21N3O2/c1-4-9-16-12(17)8-7-11(15-16)13(18)14-10(5-2)6-3/h7-8,10H,4-6,9H2,1-3H3,(H,14,18)
InChIKeyAGOSYASCZHCXDR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.57
Rot. Bonds6

About 6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide

6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide (PubChem CID 78784702) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
PubChem CID78784702
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(CC)CC)ccc1=O
InChIInChI=1S/C13H21N3O2/c1-4-9-16-12(17)8-7-11(15-16)13(18)14-10(5-2)6-3/h7-8,10H,4-6,9H2,1-3H3,(H,14,18)
InChIKeyAGOSYASCZHCXDR-UHFFFAOYSA-N
XLogP1.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 61151604
(2R)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 80750921
N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 79253183
3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 81077374
methyl (2S)-3-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoate
CID 87040055
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
N-(4-methylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 2541694
N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 39724166
6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide
CID 31109458

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide (CID 78784702) is 6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NC(CC)CC)ccc1=O.
What is the InChIKey of 6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide?
The InChIKey is AGOSYASCZHCXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-9-16-12(17)8-7-11(15-16)13(18)14-10(5-2)6-3/h7-8,10H,4-6,9H2,1-3H3,(H,14,18).
What are the key properties of 6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide?
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 78784702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).