N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide

C16H12F3N3O3 — CID 162392014

IUPACN-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
SMILESCOc1cc(C#N)cc(CNC(=O)c2cnc(OC(F)F)c(F)c2)c1
InChIInChI=1S/C16H12F3N3O3/c1-24-12-3-9(6-20)2-10(4-12)7-21-14(23)11-5-13(17)15(22-8-11)25-16(18)19/h2-5,8,16H,7H2,1H3,(H,21,23)
InChIKeyGMVXGZIOPKVVQG-UHFFFAOYSA-N
MW351.28 g/mol
LogP2.63
Rot. Bonds6

About N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide

N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide (PubChem CID 162392014) has the molecular formula C16H12F3N3O3 and a molecular weight of 351.28 g/mol. Its IUPAC name is N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
PubChem CID162392014
Molecular FormulaC16H12F3N3O3
Molecular Weight351.28 g/mol
Exact Mass351.08
IUPAC NameN-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
SMILESCOc1cc(C#N)cc(CNC(=O)c2cnc(OC(F)F)c(F)c2)c1
InChIInChI=1S/C16H12F3N3O3/c1-24-12-3-9(6-20)2-10(4-12)7-21-14(23)11-5-13(17)15(22-8-11)25-16(18)19/h2-5,8,16H,7H2,1H3,(H,21,23)
InChIKeyGMVXGZIOPKVVQG-UHFFFAOYSA-N
XLogP2.63
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166012081
N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide
CID 166863644
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 154659672
6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide
CID 166012076
6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide
CID 139532950
N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide
CID 80973356
6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453534
5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63717646
N-[(3,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 24746893
N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 166012116
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157383

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide (CID 162392014) is N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide is COc1cc(C#N)cc(CNC(=O)c2cnc(OC(F)F)c(F)c2)c1.
What is the InChIKey of N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide?
The InChIKey is GMVXGZIOPKVVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3/c1-24-12-3-9(6-20)2-10(4-12)7-21-14(23)11-5-13(17)15(22-8-11)25-16(18)19/h2-5,8,16H,7H2,1H3,(H,21,23).
What are the key properties of N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide?
N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide has a molecular weight of 351.28 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 162392014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).