N-[3-(N-methylanilino)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C24H34N6O — CID 50771949

IUPACN-[3-(N-methylanilino)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCN(CCCNC(=O)C1CCN(c2ccc(N3CCCC3)nn2)CC1)c1ccccc1
InChIInChI=1S/C24H34N6O/c1-28(21-8-3-2-4-9-21)15-7-14-25-24(31)20-12-18-30(19-13-20)23-11-10-22(26-27-23)29-16-5-6-17-29/h2-4,8-11,20H,5-7,12-19H2,1H3,(H,25,31)
InChIKeyXWLHHRKUNKQIMT-UHFFFAOYSA-N
MW422.58 g/mol
LogP2.94
Rot. Bonds8

About N-[3-(N-methylanilino)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[3-(N-methylanilino)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 50771949) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID50771949
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC NameN-[3-(N-methylanilino)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCN(CCCNC(=O)C1CCN(c2ccc(N3CCCC3)nn2)CC1)c1ccccc1
InChIInChI=1S/C24H34N6O/c1-28(21-8-3-2-4-9-21)15-7-14-25-24(31)20-12-18-30(19-13-20)23-11-10-22(26-27-23)29-16-5-6-17-29/h2-4,8-11,20H,5-7,12-19H2,1H3,(H,25,31)
InChIKeyXWLHHRKUNKQIMT-UHFFFAOYSA-N
XLogP2.94
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
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
US10138230, Example F178
CID 122445983
N-{1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl}cyclobutanecarboxamide
CID 71794387
3-{3,5-Dimethyl-1-[6-(piperidin-1-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-N-[(4-methylphenyl)methyl]propanamide
CID 16026926
N-Benzyl-3-{3,5-dimethyl-1-[6-(piperidin-1-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}propanamide
CID 16026959

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 50771949) is N-[3-(N-methylanilino)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is CN(CCCNC(=O)C1CCN(c2ccc(N3CCCC3)nn2)CC1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is XWLHHRKUNKQIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-28(21-8-3-2-4-9-21)15-7-14-25-24(31)20-12-18-30(19-13-20)23-11-10-22(26-27-23)29-16-5-6-17-29/h2-4,8-11,20H,5-7,12-19H2,1H3,(H,25,31).
What are the key properties of N-[3-(N-methylanilino)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[3-(N-methylanilino)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 422.58 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50771949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).