6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide

C13H19N5O2 — CID 133356029

IUPAC6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCCC(CC(N)=O)C2)nn1
InChIInChI=1S/C13H19N5O2/c1-15-13(20)10-4-5-12(17-16-10)18-6-2-3-9(8-18)7-11(14)19/h4-5,9H,2-3,6-8H2,1H3,(H2,14,19)(H,15,20)
InChIKeyRFJKWSMDDPSVOL-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.07
Rot. Bonds4

About 6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide

6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 133356029) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
PubChem CID133356029
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCCC(CC(N)=O)C2)nn1
InChIInChI=1S/C13H19N5O2/c1-15-13(20)10-4-5-12(17-16-10)18-6-2-3-9(8-18)7-11(14)19/h4-5,9H,2-3,6-8H2,1H3,(H2,14,19)(H,15,20)
InChIKeyRFJKWSMDDPSVOL-UHFFFAOYSA-N
XLogP-0.07
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide
CID 133339116
N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide
CID 133343097
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133329265
methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 60979698
N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide
CID 133342994
6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 99857965
N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide
CID 133329365
6-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-N-methylpyridazine-3-carboxamide
CID 96566216
6-[2-(1-aminoethyl)morpholin-4-yl]-N-methylpyridazine-3-carboxamide
CID 115315974
N-butan-2-yl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109111616
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 133356015

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide (CID 133356029) is 6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N2CCCC(CC(N)=O)C2)nn1.
What is the InChIKey of 6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
The InChIKey is RFJKWSMDDPSVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-15-13(20)10-4-5-12(17-16-10)18-6-2-3-9(8-18)7-11(14)19/h4-5,9H,2-3,6-8H2,1H3,(H2,14,19)(H,15,20).
What are the key properties of 6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 277.33 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133356029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).