N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide

C16H16F2N4O2 — CID 91909560

IUPACN-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)C1CCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C16H16F2N4O2/c17-12-1-2-14(18)11(5-12)7-19-16(24)10-3-4-22(9-10)13-6-15(23)21-20-8-13/h1-2,5-6,8,10H,3-4,7,9H2,(H,19,24)(H,21,23)
InChIKeyBXHWJXIQFBMXDK-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.19
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide

N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 91909560) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
PubChem CID91909560
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)C1CCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C16H16F2N4O2/c17-12-1-2-14(18)11(5-12)7-19-16(24)10-3-4-22(9-10)13-6-15(23)21-20-8-13/h1-2,5-6,8,10H,3-4,7,9H2,(H,19,24)(H,21,23)
InChIKeyBXHWJXIQFBMXDK-UHFFFAOYSA-N
XLogP1.19
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide (CID 91909560) is N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide is O=C(NCc1cc(F)ccc1F)C1CCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is BXHWJXIQFBMXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c17-12-1-2-14(18)11(5-12)7-19-16(24)10-3-4-22(9-10)13-6-15(23)21-20-8-13/h1-2,5-6,8,10H,3-4,7,9H2,(H,19,24)(H,21,23).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 334.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91909560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).