N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide

C18H18F2N2O3 — CID 139004800

IUPACN-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCOc1cc(OC)cc(-c2cccc(NC(=O)C3CC(F)(F)C3)n2)c1
InChIInChI=1S/C18H18F2N2O3/c1-24-13-6-11(7-14(8-13)25-2)15-4-3-5-16(21-15)22-17(23)12-9-18(19,20)10-12/h3-8,12H,9-10H2,1-2H3,(H,21,22,23)
InChIKeyUOGRQDBIRRPYPX-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.75
Rot. Bonds5

About N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide

N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 139004800) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide
PubChem CID139004800
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC NameN-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCOc1cc(OC)cc(-c2cccc(NC(=O)C3CC(F)(F)C3)n2)c1
InChIInChI=1S/C18H18F2N2O3/c1-24-13-6-11(7-14(8-13)25-2)15-4-3-5-16(21-15)22-17(23)12-9-18(19,20)10-12/h3-8,12H,9-10H2,1-2H3,(H,21,22,23)
InChIKeyUOGRQDBIRRPYPX-UHFFFAOYSA-N
XLogP3.75
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide
CID 136544089
N-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 86717676
N-(6-methoxy-2-pyridinyl)azetidine-3-carboxamide;hydrochloride
CID 142435091
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 138024829
N-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide
CID 167816475
N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
N-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide
CID 168960228
N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide
CID 7772829
N-(3,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 4812784
3,5-dimethoxy-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
CID 46090564
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42686888

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide (CID 139004800) is N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide is COc1cc(OC)cc(-c2cccc(NC(=O)C3CC(F)(F)C3)n2)c1.
What is the InChIKey of N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is UOGRQDBIRRPYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-24-13-6-11(7-14(8-13)25-2)15-4-3-5-16(21-15)22-17(23)12-9-18(19,20)10-12/h3-8,12H,9-10H2,1-2H3,(H,21,22,23).
What are the key properties of N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide?
N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 139004800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).