N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide

C13H20N4O2 — CID 94115500

IUPACN-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESC[C@@H]1CCCN(CCNC(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C13H20N4O2/c1-10-3-2-7-17(9-10)8-6-14-13(19)11-4-5-12(18)16-15-11/h4-5,10H,2-3,6-9H2,1H3,(H,14,19)(H,16,18)/t10-/m1/s1
InChIKeyZEXSVGIKWJTJMA-SNVBAGLBSA-N
MW264.33 g/mol
LogP0.23
Rot. Bonds4

About N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 94115500) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID94115500
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESC[C@@H]1CCCN(CCNC(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C13H20N4O2/c1-10-3-2-7-17(9-10)8-6-14-13(19)11-4-5-12(18)16-15-11/h4-5,10H,2-3,6-9H2,1H3,(H,14,19)(H,16,18)/t10-/m1/s1
InChIKeyZEXSVGIKWJTJMA-SNVBAGLBSA-N
XLogP0.23
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 47035916
1-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-6-oxopyridine-2-carboxamide
CID 97244814
N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746157
2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94115488
5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide
CID 94115510
N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide
CID 56818106
3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 47035917
N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 39113519
N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 95112402
2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 94115528
1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide
CID 86991505
2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 94115500) is N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide is C[C@@H]1CCCN(CCNC(=O)c2ccc(=O)[nH]n2)C1.
What is the InChIKey of N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is ZEXSVGIKWJTJMA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-3-2-7-17(9-10)8-6-14-13(19)11-4-5-12(18)16-15-11/h4-5,10H,2-3,6-9H2,1H3,(H,14,19)(H,16,18)/t10-/m1/s1.
What are the key properties of N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 94115500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).