N-[(2-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C23H31N5O — CID 50771351

IUPACN-[(2-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C23H31N5O/c1-18-7-3-4-8-20(18)17-24-23(29)19-11-15-28(16-12-19)22-10-9-21(25-26-22)27-13-5-2-6-14-27/h3-4,7-10,19H,2,5-6,11-17H2,1H3,(H,24,29)
InChIKeyZDHSCWXLMJZHRW-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.31
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[(2-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 50771351) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID50771351
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC NameN-[(2-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C23H31N5O/c1-18-7-3-4-8-20(18)17-24-23(29)19-11-15-28(16-12-19)22-10-9-21(25-26-22)27-13-5-2-6-14-27/h3-4,7-10,19H,2,5-6,11-17H2,1H3,(H,24,29)
InChIKeyZDHSCWXLMJZHRW-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 50771351) is N-[(2-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is Cc1ccccc1CNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is ZDHSCWXLMJZHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-18-7-3-4-8-20(18)17-24-23(29)19-11-15-28(16-12-19)22-10-9-21(25-26-22)27-13-5-2-6-14-27/h3-4,7-10,19H,2,5-6,11-17H2,1H3,(H,24,29).
What are the key properties of N-[(2-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[(2-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-[(2-methylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50771351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).