1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

C20H27N7O — CID 90544737

IUPAC1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3cc(N4CCCCC4)ncn3)CC2)nn1
InChIInChI=1S/C20H27N7O/c1-15-5-6-18(25-24-15)27-11-7-16(8-12-27)20(28)23-17-13-19(22-14-21-17)26-9-3-2-4-10-26/h5-6,13-14,16H,2-4,7-12H2,1H3,(H,21,22,23,28)
InChIKeyJQZXJXCCTGBEDJ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.42
Rot. Bonds4

About 1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 90544737) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID90544737
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3cc(N4CCCCC4)ncn3)CC2)nn1
InChIInChI=1S/C20H27N7O/c1-15-5-6-18(25-24-15)27-11-7-16(8-12-27)20(28)23-17-13-19(22-14-21-17)26-9-3-2-4-10-26/h5-6,13-14,16H,2-4,7-12H2,1H3,(H,21,22,23,28)
InChIKeyJQZXJXCCTGBEDJ-UHFFFAOYSA-N
XLogP2.42
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029
3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122282433
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90544006
1-(6-methylpyridazin-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 121118746
N-(2,6-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118835
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
CID 90545334
N-(3,4-dichlorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118877
N-(5-methyl-1H-pyrazol-3-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118676
N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118787
methyl 4-[[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 53170457
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 90545442

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (CID 90544737) is 1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is Cc1ccc(N2CCC(C(=O)Nc3cc(N4CCCCC4)ncn3)CC2)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is JQZXJXCCTGBEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-15-5-6-18(25-24-15)27-11-7-16(8-12-27)20(28)23-17-13-19(22-14-21-17)26-9-3-2-4-10-26/h5-6,13-14,16H,2-4,7-12H2,1H3,(H,21,22,23,28).
What are the key properties of 1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90544737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).