1-(6-chloropyridazin-3-yl)-N-ethyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C17H21ClN4O2 — CID 38672449

IUPAC1-(6-chloropyridazin-3-yl)-N-ethyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCN(Cc1ccco1)C(=O)C1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C17H21ClN4O2/c1-2-21(12-14-4-3-11-24-14)17(23)13-7-9-22(10-8-13)16-6-5-15(18)19-20-16/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyHAOOBYFYMUFQTC-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.99
Rot. Bonds5

About 1-(6-chloropyridazin-3-yl)-N-ethyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide

1-(6-chloropyridazin-3-yl)-N-ethyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 38672449) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-N-ethyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-N-ethyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID38672449
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name1-(6-chloropyridazin-3-yl)-N-ethyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCN(Cc1ccco1)C(=O)C1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C17H21ClN4O2/c1-2-21(12-14-4-3-11-24-14)17(23)13-7-9-22(10-8-13)16-6-5-15(18)19-20-16/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyHAOOBYFYMUFQTC-UHFFFAOYSA-N
XLogP2.99
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-N-ethyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-N-ethyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 38672449) is 1-(6-chloropyridazin-3-yl)-N-ethyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-N-ethyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-N-ethyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide is CCN(Cc1ccco1)C(=O)C1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-N-ethyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HAOOBYFYMUFQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-2-21(12-14-4-3-11-24-14)17(23)13-7-9-22(10-8-13)16-6-5-15(18)19-20-16/h3-6,11,13H,2,7-10,12H2,1H3.
What are the key properties of 1-(6-chloropyridazin-3-yl)-N-ethyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-(6-chloropyridazin-3-yl)-N-ethyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-N-ethyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 38672449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).