N-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-[(5-oxopyrrolidin-3-yl)methyl]formamide

C20H23FN6O2 — CID 118498131

IUPACN-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-[(5-oxopyrrolidin-3-yl)methyl]formamide
SMILESO=CN(CC1CNC(=O)C1)c1ccc(NCC2(c3ncccc3F)CCC2)nn1
InChIInChI=1S/C20H23FN6O2/c21-15-3-1-8-22-19(15)20(6-2-7-20)12-24-16-4-5-17(26-25-16)27(13-28)11-14-9-18(29)23-10-14/h1,3-5,8,13-14H,2,6-7,9-12H2,(H,23,29)(H,24,25)
InChIKeyIQSVFUJESDBQDW-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.64
Rot. Bonds8

About N-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-[(5-oxopyrrolidin-3-yl)methyl]formamide

N-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-[(5-oxopyrrolidin-3-yl)methyl]formamide (PubChem CID 118498131) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-[(5-oxopyrrolidin-3-yl)methyl]formamide.

Molecular Properties

Compound NameN-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-[(5-oxopyrrolidin-3-yl)methyl]formamide
PubChem CID118498131
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC NameN-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-[(5-oxopyrrolidin-3-yl)methyl]formamide
SMILESO=CN(CC1CNC(=O)C1)c1ccc(NCC2(c3ncccc3F)CCC2)nn1
InChIInChI=1S/C20H23FN6O2/c21-15-3-1-8-22-19(15)20(6-2-7-20)12-24-16-4-5-17(26-25-16)27(13-28)11-14-9-18(29)23-10-14/h1,3-5,8,13-14H,2,6-7,9-12H2,(H,23,29)(H,24,25)
InChIKeyIQSVFUJESDBQDW-UHFFFAOYSA-N
XLogP1.64
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-3,4-dihydro-1,2,4-triazol-5-one
CID 77431981
ethyl 2-[5-[[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-formylamino]-1,3,4-thiadiazol-2-yl]acetate
CID 118498140
2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 77432036
6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-N-(5-methyl-1H-imidazol-4-yl)pyridazine-3-carboxamide
CID 131981908
N-[[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]methyl]formamide
CID 121286033
amino-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1H-pyrazol-5-yl]methanol
CID 123726192
2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate
CID 161332730
6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide
CID 88899569
[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate
CID 121281412
N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(2,2,2-trifluoro-1-nitrosoethyl)-1,3-thiazol-2-yl]pyridazin-3-amine
CID 123507272
amino-[5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,2-oxazol-3-yl]methanol
CID 131981877
ethyl 2-[[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 88899815

Frequently Asked Questions

What is the IUPAC name of N-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-[(5-oxopyrrolidin-3-yl)methyl]formamide?
The IUPAC name of N-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-[(5-oxopyrrolidin-3-yl)methyl]formamide (CID 118498131) is N-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-[(5-oxopyrrolidin-3-yl)methyl]formamide.
What is the SMILES notation for N-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-[(5-oxopyrrolidin-3-yl)methyl]formamide?
The canonical SMILES for N-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-[(5-oxopyrrolidin-3-yl)methyl]formamide is O=CN(CC1CNC(=O)C1)c1ccc(NCC2(c3ncccc3F)CCC2)nn1.
What is the InChIKey of N-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-[(5-oxopyrrolidin-3-yl)methyl]formamide?
The InChIKey is IQSVFUJESDBQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c21-15-3-1-8-22-19(15)20(6-2-7-20)12-24-16-4-5-17(26-25-16)27(13-28)11-14-9-18(29)23-10-14/h1,3-5,8,13-14H,2,6-7,9-12H2,(H,23,29)(H,24,25).
What are the key properties of N-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-[(5-oxopyrrolidin-3-yl)methyl]formamide?
N-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-[(5-oxopyrrolidin-3-yl)methyl]formamide has a molecular weight of 398.44 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-[(5-oxopyrrolidin-3-yl)methyl]formamide is sourced from PubChem (CID 118498131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).