N-[6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide

C18H19FN4O2S — CID 42138386

IUPACN-[6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide
SMILESO=C(CSc1ccc(NC(=O)c2cccc(F)c2)nn1)NC1CCCC1
InChIInChI=1S/C18H19FN4O2S/c19-13-5-3-4-12(10-13)18(25)21-15-8-9-17(23-22-15)26-11-16(24)20-14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7,11H2,(H,20,24)(H,21,22,25)
InChIKeyUOHJARLHEOSUAQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.02
Rot. Bonds6

About N-[6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide

N-[6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide (PubChem CID 42138386) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide
PubChem CID42138386
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC NameN-[6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide
SMILESO=C(CSc1ccc(NC(=O)c2cccc(F)c2)nn1)NC1CCCC1
InChIInChI=1S/C18H19FN4O2S/c19-13-5-3-4-12(10-13)18(25)21-15-8-9-17(23-22-15)26-11-16(24)20-14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7,11H2,(H,20,24)(H,21,22,25)
InChIKeyUOHJARLHEOSUAQ-UHFFFAOYSA-N
XLogP3.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide (CID 42138386) is N-[6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide is O=C(CSc1ccc(NC(=O)c2cccc(F)c2)nn1)NC1CCCC1.
What is the InChIKey of N-[6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide?
The InChIKey is UOHJARLHEOSUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c19-13-5-3-4-12(10-13)18(25)21-15-8-9-17(23-22-15)26-11-16(24)20-14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7,11H2,(H,20,24)(H,21,22,25).
What are the key properties of N-[6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide?
N-[6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide has a molecular weight of 374.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 42138386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).