N-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide

C24H27N5O — CID 133313497

IUPACN-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(NCc2ccccc2CN2CCCCC2)nn1
InChIInChI=1S/C24H27N5O/c30-24(26-21-11-3-1-4-12-21)22-13-14-23(28-27-22)25-17-19-9-5-6-10-20(19)18-29-15-7-2-8-16-29/h1,3-6,9-14H,2,7-8,15-18H2,(H,25,28)(H,26,30)
InChIKeyLEFRHVZPSWRDNJ-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.33
Rot. Bonds7

About N-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide

N-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide (PubChem CID 133313497) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is N-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide
PubChem CID133313497
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC NameN-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(NCc2ccccc2CN2CCCCC2)nn1
InChIInChI=1S/C24H27N5O/c30-24(26-21-11-3-1-4-12-21)22-13-14-23(28-27-22)25-17-19-9-5-6-10-20(19)18-29-15-7-2-8-16-29/h1,3-6,9-14H,2,7-8,15-18H2,(H,25,28)(H,26,30)
InChIKeyLEFRHVZPSWRDNJ-UHFFFAOYSA-N
XLogP4.33
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109117802
6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide
CID 133375389
N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120760
6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109126609
6-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119692
6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109119717
6-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119678
N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118070
N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118063
6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
CID 109124960
6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide
CID 133313960
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide (CID 133313497) is N-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(NCc2ccccc2CN2CCCCC2)nn1.
What is the InChIKey of N-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide?
The InChIKey is LEFRHVZPSWRDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c30-24(26-21-11-3-1-4-12-21)22-13-14-23(28-27-22)25-17-19-9-5-6-10-20(19)18-29-15-7-2-8-16-29/h1,3-6,9-14H,2,7-8,15-18H2,(H,25,28)(H,26,30).
What are the key properties of N-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide?
N-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 133313497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).