N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

C22H24N6O — CID 109120760

IUPACN-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C22H24N6O/c29-22(25-17-7-9-19(10-8-17)28-14-4-1-5-15-28)20-11-12-21(27-26-20)24-16-18-6-2-3-13-23-18/h2-3,6-13H,1,4-5,14-16H2,(H,24,27)(H,25,29)
InChIKeyKDKCEJNSPYHEOP-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.73
Rot. Bonds6

About N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109120760) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109120760
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C22H24N6O/c29-22(25-17-7-9-19(10-8-17)28-14-4-1-5-15-28)20-11-12-21(27-26-20)24-16-18-6-2-3-13-23-18/h2-3,6-13H,1,4-5,14-16H2,(H,24,27)(H,25,29)
InChIKeyKDKCEJNSPYHEOP-UHFFFAOYSA-N
XLogP3.73
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
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-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191130
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109117802
2-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109306986
4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109212916
N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120714
6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109126609
N-(3,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120782
[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111917
6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109125432
N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120685
N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120764
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (CID 109120760) is N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(NCc2ccccn2)nn1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is KDKCEJNSPYHEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c29-22(25-17-7-9-19(10-8-17)28-14-4-1-5-15-28)20-11-12-21(27-26-20)24-16-18-6-2-3-13-23-18/h2-3,6-13H,1,4-5,14-16H2,(H,24,27)(H,25,29).
What are the key properties of N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109120760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).