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

C16H26N4O2 — CID 39113523

IUPACN-[(2S)-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-/m1/s1
InChIKeyFVVVUAGNLGBXMD-CQSZACIVSA-N
MW306.41 g/mol
LogP1.26
Rot. Bonds5

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

N-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 39113523) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID39113523
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[(2S)-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-/m1/s1
InChIKeyFVVVUAGNLGBXMD-CQSZACIVSA-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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Related Compounds

3-(2-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 4369642
3-[4-(3-methylbutyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 45827987
2-Butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one
CID 31095761
(3R)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide
CID 164630972
5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one;2-ethyl-1-piperazin-1-ylhex-4-en-1-one;molecular hydrogen
CID 171493621
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-6-hydroxypyridazine-3-carboxamide
CID 132228177
1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 36945824
1-(1-methyl-6-oxo-1,6-dihydropyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49722659
2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108932771
6-oxo-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1H-pyridazine-3-carboxamide
CID 108932772
N-[(3,3-difluoropiperidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 138000232
N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 16671504

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 39113523) is N-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2S)-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-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is FVVVUAGNLGBXMD-CQSZACIVSA-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-/m1/s1.
What are the key properties of N-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(2S)-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-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 39113523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).