3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide

C19H30N4O2 — CID 136576756

IUPAC3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCC2(N3CCCCC3)CCCCC2)c1C
InChIInChI=1S/C19H30N4O2/c1-14-15(2)21-22-18(25)16(14)17(24)20-13-19(9-5-3-6-10-19)23-11-7-4-8-12-23/h3-13H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyLRWBGHXGAZDJPH-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.31
Rot. Bonds4

About 3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide

3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide (PubChem CID 136576756) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide
PubChem CID136576756
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCC2(N3CCCCC3)CCCCC2)c1C
InChIInChI=1S/C19H30N4O2/c1-14-15(2)21-22-18(25)16(14)17(24)20-13-19(9-5-3-6-10-19)23-11-7-4-8-12-23/h3-13H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyLRWBGHXGAZDJPH-UHFFFAOYSA-N
XLogP2.31
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide
CID 56711486
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
N-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 75493361
2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide
CID 91771967
3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide
CID 102603401
N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 43428095
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 17447495
2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91770086
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyridine-3-carboxamide
CID 172670300
N-(2-hydroxy-3-methylbutyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 113258899
N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylbenzamide
CID 9291996
4-piperidin-1-yl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
CID 91760256

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide?
The IUPAC name of 3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide (CID 136576756) is 3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=O)c(C(=O)NCC2(N3CCCCC3)CCCCC2)c1C.
What is the InChIKey of 3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide?
The InChIKey is LRWBGHXGAZDJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14-15(2)21-22-18(25)16(14)17(24)20-13-19(9-5-3-6-10-19)23-11-7-4-8-12-23/h3-13H2,1-2H3,(H,20,24)(H,22,25).
What are the key properties of 3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide?
3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 136576756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).