1-(4-hydroxycyclohexyl)-4-methyl-2-oxo-N-pyridazin-3-ylpyridine-3-carboxamide

C17H20N4O3 — CID 172672685

IUPAC1-(4-hydroxycyclohexyl)-4-methyl-2-oxo-N-pyridazin-3-ylpyridine-3-carboxamide
SMILESCc1ccn(C2CCC(O)CC2)c(=O)c1C(=O)Nc1cccnn1
InChIInChI=1S/C17H20N4O3/c1-11-8-10-21(12-4-6-13(22)7-5-12)17(24)15(11)16(23)19-14-3-2-9-18-20-14/h2-3,8-10,12-13,22H,4-7H2,1H3,(H,19,20,23)
InChIKeyIHVGMJNZWHLKRJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.68
Rot. Bonds3

About 1-(4-hydroxycyclohexyl)-4-methyl-2-oxo-N-pyridazin-3-ylpyridine-3-carboxamide

1-(4-hydroxycyclohexyl)-4-methyl-2-oxo-N-pyridazin-3-ylpyridine-3-carboxamide (PubChem CID 172672685) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-4-methyl-2-oxo-N-pyridazin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-4-methyl-2-oxo-N-pyridazin-3-ylpyridine-3-carboxamide
PubChem CID172672685
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-(4-hydroxycyclohexyl)-4-methyl-2-oxo-N-pyridazin-3-ylpyridine-3-carboxamide
SMILESCc1ccn(C2CCC(O)CC2)c(=O)c1C(=O)Nc1cccnn1
InChIInChI=1S/C17H20N4O3/c1-11-8-10-21(12-4-6-13(22)7-5-12)17(24)15(11)16(23)19-14-3-2-9-18-20-14/h2-3,8-10,12-13,22H,4-7H2,1H3,(H,19,20,23)
InChIKeyIHVGMJNZWHLKRJ-UHFFFAOYSA-N
XLogP1.68
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid
CID 170505686
methyl 2-fluoro-4-[[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]benzoate
CID 175640994
1-(4-hydroxycyclohexyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172666762
1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one
CID 172659827
1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide
CID 172666720
4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 172912636
N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172664179
N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172673603
1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one
CID 172670130
N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 172912666
N-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172664109
1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one
CID 172657464

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-4-methyl-2-oxo-N-pyridazin-3-ylpyridine-3-carboxamide?
The IUPAC name of 1-(4-hydroxycyclohexyl)-4-methyl-2-oxo-N-pyridazin-3-ylpyridine-3-carboxamide (CID 172672685) is 1-(4-hydroxycyclohexyl)-4-methyl-2-oxo-N-pyridazin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-4-methyl-2-oxo-N-pyridazin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-4-methyl-2-oxo-N-pyridazin-3-ylpyridine-3-carboxamide is Cc1ccn(C2CCC(O)CC2)c(=O)c1C(=O)Nc1cccnn1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-4-methyl-2-oxo-N-pyridazin-3-ylpyridine-3-carboxamide?
The InChIKey is IHVGMJNZWHLKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-8-10-21(12-4-6-13(22)7-5-12)17(24)15(11)16(23)19-14-3-2-9-18-20-14/h2-3,8-10,12-13,22H,4-7H2,1H3,(H,19,20,23).
What are the key properties of 1-(4-hydroxycyclohexyl)-4-methyl-2-oxo-N-pyridazin-3-ylpyridine-3-carboxamide?
1-(4-hydroxycyclohexyl)-4-methyl-2-oxo-N-pyridazin-3-ylpyridine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-4-methyl-2-oxo-N-pyridazin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 172672685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).