2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide

C18H20FN5O — CID 77432036

IUPAC2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
SMILESNC(=O)C1CC1c1ccc(NCC2(c3ncccc3F)CCC2)nn1
InChIInChI=1S/C18H20FN5O/c19-13-3-1-8-21-16(13)18(6-2-7-18)10-22-15-5-4-14(23-24-15)11-9-12(11)17(20)25/h1,3-5,8,11-12H,2,6-7,9-10H2,(H2,20,25)(H,22,24)
InChIKeyYOWCPZUGZQWURA-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.13
Rot. Bonds6

About 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide

2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide (PubChem CID 77432036) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
PubChem CID77432036
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
SMILESNC(=O)C1CC1c1ccc(NCC2(c3ncccc3F)CCC2)nn1
InChIInChI=1S/C18H20FN5O/c19-13-3-1-8-21-16(13)18(6-2-7-18)10-22-15-5-4-14(23-24-15)11-9-12(11)17(20)25/h1,3-5,8,11-12H,2,6-7,9-10H2,(H2,20,25)(H,22,24)
InChIKeyYOWCPZUGZQWURA-UHFFFAOYSA-N
XLogP2.13
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide with MolForge

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Launch Full Analysis

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
trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 118498156
6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide
CID 88899569
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
ethyl 2-[[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 88899815
6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-N-(5-methyl-1H-imidazol-4-yl)pyridazine-3-carboxamide
CID 131981908
[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 67453653
[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate
CID 121281412
N-[[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]methyl]formamide
CID 121286033
amino-[5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,2-oxazol-3-yl]methanol
CID 131981877
methyl 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1-methylimidazole-4-carboxylate
CID 67453912

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide (CID 77432036) is 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide is NC(=O)C1CC1c1ccc(NCC2(c3ncccc3F)CCC2)nn1.
What is the InChIKey of 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is YOWCPZUGZQWURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c19-13-3-1-8-21-16(13)18(6-2-7-18)10-22-15-5-4-14(23-24-15)11-9-12(11)17(20)25/h1,3-5,8,11-12H,2,6-7,9-10H2,(H2,20,25)(H,22,24).
What are the key properties of 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide?
2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 77432036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).