5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid

C18H21N5O3 — CID 119134248

IUPAC5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCc1ccc(N(C)C2CCN(C(=O)c3ccc(C(=O)O)nc3)CC2)nn1
InChIInChI=1S/C18H21N5O3/c1-12-3-6-16(21-20-12)22(2)14-7-9-23(10-8-14)17(24)13-4-5-15(18(25)26)19-11-13/h3-6,11,14H,7-10H2,1-2H3,(H,25,26)
InChIKeyXHSHOIWICQYBHF-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.62
Rot. Bonds4

About 5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid

5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119134248) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID119134248
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCc1ccc(N(C)C2CCN(C(=O)c3ccc(C(=O)O)nc3)CC2)nn1
InChIInChI=1S/C18H21N5O3/c1-12-3-6-16(21-20-12)22(2)14-7-9-23(10-8-14)17(24)13-4-5-15(18(25)26)19-11-13/h3-6,11,14H,7-10H2,1-2H3,(H,25,26)
InChIKeyXHSHOIWICQYBHF-UHFFFAOYSA-N
XLogP1.62
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid (CID 119134248) is 5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid is Cc1ccc(N(C)C2CCN(C(=O)c3ccc(C(=O)O)nc3)CC2)nn1.
What is the InChIKey of 5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is XHSHOIWICQYBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-12-3-6-16(21-20-12)22(2)14-7-9-23(10-8-14)17(24)13-4-5-15(18(25)26)19-11-13/h3-6,11,14H,7-10H2,1-2H3,(H,25,26).
What are the key properties of 5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 355.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119134248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).