4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid

C16H18N4O3 — CID 170505686

IUPAC4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid
SMILESCc1ccn(C2CCN(c3cccnn3)CC2)c(=O)c1C(=O)O
InChIInChI=1S/C16H18N4O3/c1-11-4-10-20(15(21)14(11)16(22)23)12-5-8-19(9-6-12)13-3-2-7-17-18-13/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,22,23)
InChIKeyHICIORXPNXOZGD-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.49
Rot. Bonds3

About 4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid

4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid (PubChem CID 170505686) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid
PubChem CID170505686
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid
SMILESCc1ccn(C2CCN(c3cccnn3)CC2)c(=O)c1C(=O)O
InChIInChI=1S/C16H18N4O3/c1-11-4-10-20(15(21)14(11)16(22)23)12-5-8-19(9-6-12)13-3-2-7-17-18-13/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,22,23)
InChIKeyHICIORXPNXOZGD-UHFFFAOYSA-N
XLogP1.49
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-hydroxycyclohexyl)-4-methyl-2-oxo-N-pyridazin-3-ylpyridine-3-carboxamide
CID 172672685
(3R)-N-methyl-1-pyridazin-3-ylpyrrolidin-3-amine
CID 177337485
N-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide
CID 121338355
6,7,8-trimethoxy-3-(1-pyridazin-3-ylpiperidin-4-yl)quinazolin-4-one
CID 171915843
[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]methanol
CID 130626069
2-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)acetic acid
CID 103293767
ethane;8-methyl-3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane
CID 91579782
3-[4-(chloromethyl)piperidin-1-yl]pyridazine
CID 63390374
N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425
(4-methylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060278
1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid
CID 82112948
1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one
CID 172659827

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid (CID 170505686) is 4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid is Cc1ccn(C2CCN(c3cccnn3)CC2)c(=O)c1C(=O)O.
What is the InChIKey of 4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid?
The InChIKey is HICIORXPNXOZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-4-10-20(15(21)14(11)16(22)23)12-5-8-19(9-6-12)13-3-2-7-17-18-13/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,22,23).
What are the key properties of 4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid?
4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid has a molecular weight of 314.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 170505686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).