N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide

C19H26N6O2 — CID 121120955

IUPACN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NCCn3cnc(C)c(C)c3=O)CC2)nn1
InChIInChI=1S/C19H26N6O2/c1-13-4-5-17(23-22-13)24-9-6-16(7-10-24)18(26)20-8-11-25-12-21-15(3)14(2)19(25)27/h4-5,12,16H,6-11H2,1-3H3,(H,20,26)
InChIKeyCTJAARYMPHSHHS-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.99
Rot. Bonds5

About N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 121120955) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID121120955
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NCCn3cnc(C)c(C)c3=O)CC2)nn1
InChIInChI=1S/C19H26N6O2/c1-13-4-5-17(23-22-13)24-9-6-16(7-10-24)18(26)20-8-11-25-12-21-15(3)14(2)19(25)27/h4-5,12,16H,6-11H2,1-3H3,(H,20,26)
InChIKeyCTJAARYMPHSHHS-UHFFFAOYSA-N
XLogP0.99
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 121120951
1-(6-methylpyridazin-3-yl)-N-propylpiperidine-4-carboxamide
CID 121118861
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperidine-4-carboxamide
CID 121119423
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121119104
N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118974
1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121011
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46297885
1-(6-methylpyridazin-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 121118746
1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
CID 121118673
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 121120549
N-(3-piperidin-1-ylpropyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771839
3-[2-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 122279486

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide (CID 121120955) is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide is Cc1ccc(N2CCC(C(=O)NCCn3cnc(C)c(C)c3=O)CC2)nn1.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is CTJAARYMPHSHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13-4-5-17(23-22-13)24-9-6-16(7-10-24)18(26)20-8-11-25-12-21-15(3)14(2)19(25)27/h4-5,12,16H,6-11H2,1-3H3,(H,20,26).
What are the key properties of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121120955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).