N-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C23H31N5O — CID 50771805

IUPACN-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)c1
InChIInChI=1S/C23H31N5O/c1-18-6-5-7-19(16-18)17-24-23(29)20-10-14-28(15-11-20)22-9-8-21(25-26-22)27-12-3-2-4-13-27/h5-9,16,20H,2-4,10-15,17H2,1H3,(H,24,29)
InChIKeyRARJYOOCXJBSPQ-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.31
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 50771805) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID50771805
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC NameN-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)c1
InChIInChI=1S/C23H31N5O/c1-18-6-5-7-19(16-18)17-24-23(29)20-10-14-28(15-11-20)22-9-8-21(25-26-22)27-12-3-2-4-13-27/h5-9,16,20H,2-4,10-15,17H2,1H3,(H,24,29)
InChIKeyRARJYOOCXJBSPQ-UHFFFAOYSA-N
XLogP3.31
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7422380
N-(3-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7422384
N-(3-(6-(4-methylpiperazin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7593164
N-(4-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7593463
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyridazin-3-ylpiperidin-4-yl)methanone
CID 134521326
2,2,2-trifluoro-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 7422385
2,2,2-trifluoro-N-(4-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)acetamide
CID 7593464
N-(4-(6-(4-methylpiperazin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7593428
N-(4-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7593476
US11033539, Cpd. No. 23-3
CID 158665731
(4-(6-(Piperidin-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-(trifluoromethyl)phenyl)methanone
CID 7292410
2-(4-Benzyl-piperidin-1-yl)-N-(6-phenyl-pyridazin-3-yl)-acetamide
CID 10992679

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 50771805) is N-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is Cc1cccc(CNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is RARJYOOCXJBSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-18-6-5-7-19(16-18)17-24-23(29)20-10-14-28(15-11-20)22-9-8-21(25-26-22)27-12-3-2-4-13-27/h5-9,16,20H,2-4,10-15,17H2,1H3,(H,24,29).
What are the key properties of N-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50771805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).