N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide

C17H15F2N3O2 — CID 166863644

IUPACN-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide
SMILESCc1ccc(C#N)cc1CNC(=O)c1cnc(OC(C)F)c(F)c1
InChIInChI=1S/C17H15F2N3O2/c1-10-3-4-12(7-20)5-13(10)8-21-16(23)14-6-15(19)17(22-9-14)24-11(2)18/h3-6,9,11H,8H2,1-2H3,(H,21,23)
InChIKeyBXKKUPGKOMORCL-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.03
Rot. Bonds5

About N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide

N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide (PubChem CID 166863644) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide
PubChem CID166863644
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC NameN-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide
SMILESCc1ccc(C#N)cc1CNC(=O)c1cnc(OC(C)F)c(F)c1
InChIInChI=1S/C17H15F2N3O2/c1-10-3-4-12(7-20)5-13(10)8-21-16(23)14-6-15(19)17(22-9-14)24-11(2)18/h3-6,9,11H,8H2,1-2H3,(H,21,23)
InChIKeyBXKKUPGKOMORCL-UHFFFAOYSA-N
XLogP3.03
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 162392014
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 154659672
methyl N-[(5-cyano-2-methylphenyl)methyl]carbamate
CID 90111724
6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide
CID 166012076
6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453534
N-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluoro-3-methylbenzamide
CID 58653870
N-[(4-cyano-2-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 63359657
N-[(5-bromo-2-methylphenyl)methyl]-4-cyanopyridine-2-carboxamide
CID 115116857
N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide
CID 86893384
5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232074
4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 166012096
6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166012081

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide (CID 166863644) is N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide is Cc1ccc(C#N)cc1CNC(=O)c1cnc(OC(C)F)c(F)c1.
What is the InChIKey of N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide?
The InChIKey is BXKKUPGKOMORCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c1-10-3-4-12(7-20)5-13(10)8-21-16(23)14-6-15(19)17(22-9-14)24-11(2)18/h3-6,9,11H,8H2,1-2H3,(H,21,23).
What are the key properties of N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide?
N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 166863644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).