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

C23H38N6O — CID 92888526

IUPACN-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESC[C@@H]1CCCN(CCCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)C1
InChIInChI=1S/C23H38N6O/c1-19-6-4-12-27(18-19)13-5-11-24-23(30)20-9-16-29(17-10-20)22-8-7-21(25-26-22)28-14-2-3-15-28/h7-8,19-20H,2-6,9-18H2,1H3,(H,24,30)/t19-/m1/s1
InChIKeyQDFWOOJMUBKNNG-LJQANCHMSA-N
MW414.60 g/mol
LogP2.53
Rot. Bonds7

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

N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 92888526) has the molecular formula C23H38N6O and a molecular weight of 414.60 g/mol. Its IUPAC name is N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID92888526
Molecular FormulaC23H38N6O
Molecular Weight414.60 g/mol
Exact Mass414.31
IUPAC NameN-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESC[C@@H]1CCCN(CCCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)C1
InChIInChI=1S/C23H38N6O/c1-19-6-4-12-27(18-19)13-5-11-24-23(30)20-9-16-29(17-10-20)22-8-7-21(25-26-22)28-14-2-3-15-28/h7-8,19-20H,2-6,9-18H2,1H3,(H,24,30)/t19-/m1/s1
InChIKeyQDFWOOJMUBKNNG-LJQANCHMSA-N
XLogP2.53
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.60
LogP ≤ 52.53
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

1-[6-(dimethylamino)pyridazin-3-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 50771131
N-(3-piperidin-1-ylpropyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771839
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119856
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119857
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46297885
1-(benzenesulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 133167065
1-(4-methylphenyl)sulfonyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 100650018
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 55717991
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 55718213
1-(4-methoxyphenyl)sulfonyl-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 133167714
(3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 124839677
N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771294

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 92888526) is N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is C[C@@H]1CCCN(CCCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)C1.
What is the InChIKey of N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is QDFWOOJMUBKNNG-LJQANCHMSA-N. The full InChI is InChI=1S/C23H38N6O/c1-19-6-4-12-27(18-19)13-5-11-24-23(30)20-9-16-29(17-10-20)22-8-7-21(25-26-22)28-14-2-3-15-28/h7-8,19-20H,2-6,9-18H2,1H3,(H,24,30)/t19-/m1/s1.
What are the key properties of N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 414.60 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 92888526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).