N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide

C16H26N4O2 — CID 39113519

IUPACN-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CCN([C@@H](CNC(=O)c2ccc(=O)[nH]n2)C(C)C)CC1
InChIInChI=1S/C16H26N4O2/c1-11(2)14(20-8-6-12(3)7-9-20)10-17-16(22)13-4-5-15(21)19-18-13/h4-5,11-12,14H,6-10H2,1-3H3,(H,17,22)(H,19,21)/t14-/m0/s1
InChIKeyFVVVUAGNLGBXMD-AWEZNQCLSA-N
MW306.41 g/mol
LogP1.26
Rot. Bonds5

About N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 39113519) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID39113519
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CCN([C@@H](CNC(=O)c2ccc(=O)[nH]n2)C(C)C)CC1
InChIInChI=1S/C16H26N4O2/c1-11(2)14(20-8-6-12(3)7-9-20)10-17-16(22)13-4-5-15(21)19-18-13/h4-5,11-12,14H,6-10H2,1-3H3,(H,17,22)(H,19,21)/t14-/m0/s1
InChIKeyFVVVUAGNLGBXMD-AWEZNQCLSA-N
XLogP1.26
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 39113519) is N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide is CC1CCN([C@@H](CNC(=O)c2ccc(=O)[nH]n2)C(C)C)CC1.
What is the InChIKey of N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is FVVVUAGNLGBXMD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)14(20-8-6-12(3)7-9-20)10-17-16(22)13-4-5-15(21)19-18-13/h4-5,11-12,14H,6-10H2,1-3H3,(H,17,22)(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 39113519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).