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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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).