1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

C18H23N5O2 — CID 53203932

IUPAC1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESCn1ncc(N2CCCC(C(=O)NCCc3ccccn3)C2)cc1=O
InChIInChI=1S/C18H23N5O2/c1-22-17(24)11-16(12-21-22)23-10-4-5-14(13-23)18(25)20-9-7-15-6-2-3-8-19-15/h2-3,6,8,11-12,14H,4-5,7,9-10,13H2,1H3,(H,20,25)
InChIKeyRTCPKWXCTVYSSJ-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.75
Rot. Bonds5

About 1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (PubChem CID 53203932) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
PubChem CID53203932
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESCn1ncc(N2CCCC(C(=O)NCCc3ccccn3)C2)cc1=O
InChIInChI=1S/C18H23N5O2/c1-22-17(24)11-16(12-21-22)23-10-4-5-14(13-23)18(25)20-9-7-15-6-2-3-8-19-15/h2-3,6,8,11-12,14H,4-5,7,9-10,13H2,1H3,(H,20,25)
InChIKeyRTCPKWXCTVYSSJ-UHFFFAOYSA-N
XLogP0.75
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (CID 53203932) is 1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is Cn1ncc(N2CCCC(C(=O)NCCc3ccccn3)C2)cc1=O.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is RTCPKWXCTVYSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22-17(24)11-16(12-21-22)23-10-4-5-14(13-23)18(25)20-9-7-15-6-2-3-8-19-15/h2-3,6,8,11-12,14H,4-5,7,9-10,13H2,1H3,(H,20,25).
What are the key properties of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53203932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).