N-[(4-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C16H17FN4O — CID 71778477

IUPACN-[(4-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C16H17FN4O/c17-13-5-3-12(4-6-13)11-18-16(22)14-7-8-15(20-19-14)21-9-1-2-10-21/h3-8H,1-2,9-11H2,(H,18,22)
InChIKeyOXWSBHCNGOTYDF-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.15
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[(4-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 71778477) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID71778477
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC NameN-[(4-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C16H17FN4O/c17-13-5-3-12(4-6-13)11-18-16(22)14-7-8-15(20-19-14)21-9-1-2-10-21/h3-8H,1-2,9-11H2,(H,18,22)
InChIKeyOXWSBHCNGOTYDF-UHFFFAOYSA-N
XLogP2.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 71778477) is N-[(4-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is OXWSBHCNGOTYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-13-5-3-12(4-6-13)11-18-16(22)14-7-8-15(20-19-14)21-9-1-2-10-21/h3-8H,1-2,9-11H2,(H,18,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 71778477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).