6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide

C16H24N4O3 — CID 167759413

IUPAC6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CCCCN2C(=O)C(C)C)n[nH]1
InChIInChI=1S/C16H24N4O3/c1-10(2)16(23)20-7-5-4-6-12(20)9-17-15(22)14-13(21)8-11(3)18-19-14/h8,10,12H,4-7,9H2,1-3H3,(H,17,22)(H,18,21)
InChIKeyRRGJGQQQGOFIJX-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.85
Rot. Bonds4

About 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide

6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide (PubChem CID 167759413) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide
PubChem CID167759413
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CCCCN2C(=O)C(C)C)n[nH]1
InChIInChI=1S/C16H24N4O3/c1-10(2)16(23)20-7-5-4-6-12(20)9-17-15(22)14-13(21)8-11(3)18-19-14/h8,10,12H,4-7,9H2,1-3H3,(H,17,22)(H,18,21)
InChIKeyRRGJGQQQGOFIJX-UHFFFAOYSA-N
XLogP0.85
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 62083205
N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide
CID 155963766
6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
CID 167777693
N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide
CID 167811798
5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 126937456
tert-butyl 2-[[(3,4-dihydroxy-7-methyl-5-oxocyclohepta-1,3,6-triene-1-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 155279322
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95329398
6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide
CID 155963747
ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 143767685
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide (CID 167759413) is 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC2CCCCN2C(=O)C(C)C)n[nH]1.
What is the InChIKey of 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is RRGJGQQQGOFIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10(2)16(23)20-7-5-4-6-12(20)9-17-15(22)14-13(21)8-11(3)18-19-14/h8,10,12H,4-7,9H2,1-3H3,(H,17,22)(H,18,21).
What are the key properties of 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide?
6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 167759413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).