N-[(5-fluoro-2-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]pyridazine-4-carboxamide

C17H18FN3O3 — CID 91762542

IUPACN-[(5-fluoro-2-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]pyridazine-4-carboxamide
SMILESCOc1ccc(F)cc1C(NC(=O)c1ccnnc1)C1CC(O)C1
InChIInChI=1S/C17H18FN3O3/c1-24-15-3-2-12(18)8-14(15)16(11-6-13(22)7-11)21-17(23)10-4-5-19-20-9-10/h2-5,8-9,11,13,16,22H,6-7H2,1H3,(H,21,23)
InChIKeyQVEHNIIHHSFSMD-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.87
Rot. Bonds5

About N-[(5-fluoro-2-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]pyridazine-4-carboxamide

N-[(5-fluoro-2-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]pyridazine-4-carboxamide (PubChem CID 91762542) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]pyridazine-4-carboxamide
PubChem CID91762542
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]pyridazine-4-carboxamide
SMILESCOc1ccc(F)cc1C(NC(=O)c1ccnnc1)C1CC(O)C1
InChIInChI=1S/C17H18FN3O3/c1-24-15-3-2-12(18)8-14(15)16(11-6-13(22)7-11)21-17(23)10-4-5-19-20-9-10/h2-5,8-9,11,13,16,22H,6-7H2,1H3,(H,21,23)
InChIKeyQVEHNIIHHSFSMD-UHFFFAOYSA-N
XLogP1.87
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]pyridazine-4-carboxamide (CID 91762542) is N-[(5-fluoro-2-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]pyridazine-4-carboxamide is COc1ccc(F)cc1C(NC(=O)c1ccnnc1)C1CC(O)C1.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]pyridazine-4-carboxamide?
The InChIKey is QVEHNIIHHSFSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-24-15-3-2-12(18)8-14(15)16(11-6-13(22)7-11)21-17(23)10-4-5-19-20-9-10/h2-5,8-9,11,13,16,22H,6-7H2,1H3,(H,21,23).
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]pyridazine-4-carboxamide?
N-[(5-fluoro-2-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]pyridazine-4-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 91762542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).