6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide

C14H12F3N3O3 — CID 166012081

IUPAC6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCOc1cncc(CNC(=O)c2cnc(OC(F)F)c(F)c2)c1
InChIInChI=1S/C14H12F3N3O3/c1-22-10-2-8(4-18-7-10)5-19-12(21)9-3-11(15)13(20-6-9)23-14(16)17/h2-4,6-7,14H,5H2,1H3,(H,19,21)
InChIKeySZJXUJPNUGXULM-UHFFFAOYSA-N
MW327.26 g/mol
LogP2.16
Rot. Bonds6

About 6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide

6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 166012081) has the molecular formula C14H12F3N3O3 and a molecular weight of 327.26 g/mol. Its IUPAC name is 6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID166012081
Molecular FormulaC14H12F3N3O3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC Name6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCOc1cncc(CNC(=O)c2cnc(OC(F)F)c(F)c2)c1
InChIInChI=1S/C14H12F3N3O3/c1-22-10-2-8(4-18-7-10)5-19-12(21)9-3-11(15)13(20-6-9)23-14(16)17/h2-4,6-7,14H,5H2,1H3,(H,19,21)
InChIKeySZJXUJPNUGXULM-UHFFFAOYSA-N
XLogP2.16
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 162392014
6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide
CID 166012076
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 154659672
3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide
CID 126826403
6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide
CID 139532950
N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide
CID 53138000
6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453534
N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 166012116
4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide
CID 166012158
N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen
CID 171523322
2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 171677233
N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 153348287

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 166012081) is 6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide is COc1cncc(CNC(=O)c2cnc(OC(F)F)c(F)c2)c1.
What is the InChIKey of 6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is SZJXUJPNUGXULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3/c1-22-10-2-8(4-18-7-10)5-19-12(21)9-3-11(15)13(20-6-9)23-14(16)17/h2-4,6-7,14H,5H2,1H3,(H,19,21).
What are the key properties of 6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 327.26 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 166012081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).