N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide

C15H16N4O — CID 110862074

IUPACN-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cccnn1
InChIInChI=1S/C15H16N4O/c20-15(14-4-3-9-16-18-14)17-12-5-7-13(8-6-12)19-10-1-2-11-19/h3-9H,1-2,10-11H2,(H,17,20)
InChIKeyIQBIMTSCCUSXHB-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.33
Rot. Bonds3

About N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide

N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide (PubChem CID 110862074) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
PubChem CID110862074
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cccnn1
InChIInChI=1S/C15H16N4O/c20-15(14-4-3-9-16-18-14)17-12-5-7-13(8-6-12)19-10-1-2-11-19/h3-9H,1-2,10-11H2,(H,17,20)
InChIKeyIQBIMTSCCUSXHB-UHFFFAOYSA-N
XLogP2.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.33
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

N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211
3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 62490450
6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109126609
6-methoxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 110862104
6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 113200278
3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 107518403
N-[4-(azepan-1-yl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide
CID 11153979
N-[4-(azepan-1-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 55856932
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109117802
6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide
CID 109095385
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide (CID 110862074) is N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1cccnn1.
What is the InChIKey of N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is IQBIMTSCCUSXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c20-15(14-4-3-9-16-18-14)17-12-5-7-13(8-6-12)19-10-1-2-11-19/h3-9H,1-2,10-11H2,(H,17,20).
What are the key properties of N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide?
N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 110862074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).