1-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]piperidine-4-carboxamide

C17H19ClN4O3 — CID 4314288

IUPAC1-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2ncc(N3CCC(C(N)=O)CC3)c(Cl)c2=O)cc1
InChIInChI=1S/C17H19ClN4O3/c1-25-13-4-2-12(3-5-13)22-17(24)15(18)14(10-20-22)21-8-6-11(7-9-21)16(19)23/h2-5,10-11H,6-9H2,1H3,(H2,19,23)
InChIKeyKAUDUDQHDUDEBB-UHFFFAOYSA-N
MW362.82 g/mol
LogP1.60
Rot. Bonds4

About 1-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]piperidine-4-carboxamide

1-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]piperidine-4-carboxamide (PubChem CID 4314288) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is 1-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]piperidine-4-carboxamide
PubChem CID4314288
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name1-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2ncc(N3CCC(C(N)=O)CC3)c(Cl)c2=O)cc1
InChIInChI=1S/C17H19ClN4O3/c1-25-13-4-2-12(3-5-13)22-17(24)15(18)14(10-20-22)21-8-6-11(7-9-21)16(19)23/h2-5,10-11H,6-9H2,1H3,(H2,19,23)
InChIKeyKAUDUDQHDUDEBB-UHFFFAOYSA-N
XLogP1.60
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]piperidine-4-carboxamide (CID 4314288) is 1-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]piperidine-4-carboxamide is COc1ccc(-n2ncc(N3CCC(C(N)=O)CC3)c(Cl)c2=O)cc1.
What is the InChIKey of 1-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]piperidine-4-carboxamide?
The InChIKey is KAUDUDQHDUDEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c1-25-13-4-2-12(3-5-13)22-17(24)15(18)14(10-20-22)21-8-6-11(7-9-21)16(19)23/h2-5,10-11H,6-9H2,1H3,(H2,19,23).
What are the key properties of 1-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]piperidine-4-carboxamide?
1-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]piperidine-4-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 4314288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).