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

C24H34N6O2 — CID 50785876

IUPACN-[3-(N-methylanilino)propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCN(CCCNC(=O)C1CCCN(c2ccc(N3CCOCC3)nn2)C1)c1ccccc1
InChIInChI=1S/C24H34N6O2/c1-28(21-8-3-2-4-9-21)13-6-12-25-24(31)20-7-5-14-30(19-20)23-11-10-22(26-27-23)29-15-17-32-18-16-29/h2-4,8-11,20H,5-7,12-19H2,1H3,(H,25,31)
InChIKeyKMWMQWDEHRITHH-UHFFFAOYSA-N
MW438.58 g/mol
LogP2.17
Rot. Bonds8

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

N-[3-(N-methylanilino)propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 50785876) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID50785876
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC NameN-[3-(N-methylanilino)propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCN(CCCNC(=O)C1CCCN(c2ccc(N3CCOCC3)nn2)C1)c1ccccc1
InChIInChI=1S/C24H34N6O2/c1-28(21-8-3-2-4-9-21)13-6-12-25-24(31)20-7-5-14-30(19-20)23-11-10-22(26-27-23)29-15-17-32-18-16-29/h2-4,8-11,20H,5-7,12-19H2,1H3,(H,25,31)
InChIKeyKMWMQWDEHRITHH-UHFFFAOYSA-N
XLogP2.17
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 50785876) is N-[3-(N-methylanilino)propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is CN(CCCNC(=O)C1CCCN(c2ccc(N3CCOCC3)nn2)C1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is KMWMQWDEHRITHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-28(21-8-3-2-4-9-21)13-6-12-25-24(31)20-7-5-14-30(19-20)23-11-10-22(26-27-23)29-15-17-32-18-16-29/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-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-[3-(N-methylanilino)propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 438.58 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50785876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).