(3R)-1-(6-chloropyridazin-3-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide

C16H19ClN4O2 — CID 51983360

IUPAC(3R)-1-(6-chloropyridazin-3-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C16H19ClN4O2/c1-20(11-13-5-3-9-23-13)16(22)12-4-2-8-21(10-12)15-7-6-14(17)18-19-15/h3,5-7,9,12H,2,4,8,10-11H2,1H3/t12-/m1/s1
InChIKeyWRQIXWRNFCJESO-GFCCVEGCSA-N
MW334.81 g/mol
LogP2.60
Rot. Bonds4

About (3R)-1-(6-chloropyridazin-3-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide

(3R)-1-(6-chloropyridazin-3-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide (PubChem CID 51983360) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is (3R)-1-(6-chloropyridazin-3-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-chloropyridazin-3-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide
PubChem CID51983360
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name(3R)-1-(6-chloropyridazin-3-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C16H19ClN4O2/c1-20(11-13-5-3-9-23-13)16(22)12-4-2-8-21(10-12)15-7-6-14(17)18-19-15/h3,5-7,9,12H,2,4,8,10-11H2,1H3/t12-/m1/s1
InChIKeyWRQIXWRNFCJESO-GFCCVEGCSA-N
XLogP2.60
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(6-chloropyridazin-3-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-chloropyridazin-3-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-chloropyridazin-3-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide (CID 51983360) is (3R)-1-(6-chloropyridazin-3-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-chloropyridazin-3-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-chloropyridazin-3-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide is CN(Cc1ccco1)C(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1.
What is the InChIKey of (3R)-1-(6-chloropyridazin-3-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is WRQIXWRNFCJESO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-20(11-13-5-3-9-23-13)16(22)12-4-2-8-21(10-12)15-7-6-14(17)18-19-15/h3,5-7,9,12H,2,4,8,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-1-(6-chloropyridazin-3-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide?
(3R)-1-(6-chloropyridazin-3-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-chloropyridazin-3-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 51983360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).