1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide

C20H23ClN4O2 — CID 53070721

IUPAC1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide
SMILESCc1ccc(-n2nc(N3CCC(C(=O)NC4CC4)CC3)ccc2=O)cc1Cl
InChIInChI=1S/C20H23ClN4O2/c1-13-2-5-16(12-17(13)21)25-19(26)7-6-18(23-25)24-10-8-14(9-11-24)20(27)22-15-3-4-15/h2,5-7,12,14-15H,3-4,8-11H2,1H3,(H,22,27)
InChIKeyQJWJPERQGLYYMX-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.69
Rot. Bonds4

About 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide

1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 53070721) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide
PubChem CID53070721
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide
SMILESCc1ccc(-n2nc(N3CCC(C(=O)NC4CC4)CC3)ccc2=O)cc1Cl
InChIInChI=1S/C20H23ClN4O2/c1-13-2-5-16(12-17(13)21)25-19(26)7-6-18(23-25)24-10-8-14(9-11-24)20(27)22-15-3-4-15/h2,5-7,12,14-15H,3-4,8-11H2,1H3,(H,22,27)
InChIKeyQJWJPERQGLYYMX-UHFFFAOYSA-N
XLogP2.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide (CID 53070721) is 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide is Cc1ccc(-n2nc(N3CCC(C(=O)NC4CC4)CC3)ccc2=O)cc1Cl.
What is the InChIKey of 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is QJWJPERQGLYYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-13-2-5-16(12-17(13)21)25-19(26)7-6-18(23-25)24-10-8-14(9-11-24)20(27)22-15-3-4-15/h2,5-7,12,14-15H,3-4,8-11H2,1H3,(H,22,27).
What are the key properties of 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide?
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 53070721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).