6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide

C19H22N4O — CID 113200278

IUPAC6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(C2CC2)nn1
InChIInChI=1S/C19H22N4O/c24-19(18-11-10-17(21-22-18)14-4-5-14)20-15-6-8-16(9-7-15)23-12-2-1-3-13-23/h6-11,14H,1-5,12-13H2,(H,20,24)
InChIKeyLDXFXJWGJZMMSI-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.60
Rot. Bonds4

About 6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide

6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide (PubChem CID 113200278) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
PubChem CID113200278
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(C2CC2)nn1
InChIInChI=1S/C19H22N4O/c24-19(18-11-10-17(21-22-18)14-4-5-14)20-15-6-8-16(9-7-15)23-12-2-1-3-13-23/h6-11,14H,1-5,12-13H2,(H,20,24)
InChIKeyLDXFXJWGJZMMSI-UHFFFAOYSA-N
XLogP3.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109126609
N-(4-cyanophenyl)-6-cyclopropylpyridazine-3-carboxamide
CID 113200315
6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 113200265
N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 110862074
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109117802
5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide
CID 109196891
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109287624
6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125996
6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109125432
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide (CID 113200278) is 6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(C2CC2)nn1.
What is the InChIKey of 6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is LDXFXJWGJZMMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(18-11-10-17(21-22-18)14-4-5-14)20-15-6-8-16(9-7-15)23-12-2-1-3-13-23/h6-11,14H,1-5,12-13H2,(H,20,24).
What are the key properties of 6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide?
6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 113200278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).