3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide

C20H25N5O3 — CID 120579697

IUPAC3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C20H25N5O3/c21-12-11-18(26)22-14-16-8-4-5-13-24(16)20(28)17-9-10-19(27)25(23-17)15-6-2-1-3-7-15/h1-3,6-7,9-10,16H,4-5,8,11-14,21H2,(H,22,26)
InChIKeyFHHJXVWCMCFDDD-UHFFFAOYSA-N
MW383.45 g/mol
LogP0.69
Rot. Bonds6

About 3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide (PubChem CID 120579697) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide
PubChem CID120579697
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C20H25N5O3/c21-12-11-18(26)22-14-16-8-4-5-13-24(16)20(28)17-9-10-19(27)25(23-17)15-6-2-1-3-7-15/h1-3,6-7,9-10,16H,4-5,8,11-14,21H2,(H,22,26)
InChIKeyFHHJXVWCMCFDDD-UHFFFAOYSA-N
XLogP0.69
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide
CID 120580221
3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579938
3-amino-N-[[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579736
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-phenylpyridazin-3-one
CID 56811651
3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide
CID 120578129
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120580028
3-amino-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578135
3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578527
2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 110888367
6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 146122143

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide (CID 120579697) is 3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1C(=O)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of 3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is FHHJXVWCMCFDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c21-12-11-18(26)22-14-16-8-4-5-13-24(16)20(28)17-9-10-19(27)25(23-17)15-6-2-1-3-7-15/h1-3,6-7,9-10,16H,4-5,8,11-14,21H2,(H,22,26).
What are the key properties of 3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 383.45 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120579697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).