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

C26H32N6O — CID 30365604

IUPACN-[4-(diethylamino)-2-methylphenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCN(c3ccc(-c4cccnc4)nn3)CC2)c(C)c1
InChIInChI=1S/C26H32N6O/c1-4-31(5-2)22-8-9-23(19(3)17-22)28-26(33)20-12-15-32(16-13-20)25-11-10-24(29-30-25)21-7-6-14-27-18-21/h6-11,14,17-18,20H,4-5,12-13,15-16H2,1-3H3,(H,28,33)
InChIKeySMRJXUNWGHWTFM-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.55
Rot. Bonds7

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

N-[4-(diethylamino)-2-methylphenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 30365604) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID30365604
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCN(c3ccc(-c4cccnc4)nn3)CC2)c(C)c1
InChIInChI=1S/C26H32N6O/c1-4-31(5-2)22-8-9-23(19(3)17-22)28-26(33)20-12-15-32(16-13-20)25-11-10-24(29-30-25)21-7-6-14-27-18-21/h6-11,14,17-18,20H,4-5,12-13,15-16H2,1-3H3,(H,28,33)
InChIKeySMRJXUNWGHWTFM-UHFFFAOYSA-N
XLogP4.55
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365483
N-[4-(diethylamino)-2-methylphenyl]-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514320
N-[4-(dimethylamino)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365512
N-(3,4-difluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365350
N-propan-2-yl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365272
N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364975
N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365521
N-[4-(diethylamino)-2-methylphenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600388
N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365439
methyl 4-[[1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzoate
CID 30365220
N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide
CID 837088
N-[(1S)-1-phenylethyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30867017

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 30365604) is N-[4-(diethylamino)-2-methylphenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide is CCN(CC)c1ccc(NC(=O)C2CCN(c3ccc(-c4cccnc4)nn3)CC2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is SMRJXUNWGHWTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O/c1-4-31(5-2)22-8-9-23(19(3)17-22)28-26(33)20-12-15-32(16-13-20)25-11-10-24(29-30-25)21-7-6-14-27-18-21/h6-11,14,17-18,20H,4-5,12-13,15-16H2,1-3H3,(H,28,33).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30365604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).