N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide

C26H23FN4O3 — CID 25225520

IUPACN-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccc2F)nc1OC
InChIInChI=1S/C26H23FN4O3/c1-16-10-17(13-28-12-16)18-11-21(24(29-14-18)20-6-4-5-7-22(20)27)25(32)30-15-19-8-9-23(33-2)26(31-19)34-3/h4-14H,15H2,1-3H3,(H,30,32)
InChIKeyXUTFFTLUNOGQQE-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.60
Rot. Bonds7

About N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide

N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 25225520) has the molecular formula C26H23FN4O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID25225520
Molecular FormulaC26H23FN4O3
Molecular Weight458.49 g/mol
Exact Mass458.18
IUPAC NameN-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccc2F)nc1OC
InChIInChI=1S/C26H23FN4O3/c1-16-10-17(13-28-12-16)18-11-21(24(29-14-18)20-6-4-5-7-22(20)27)25(32)30-15-19-8-9-23(33-2)26(31-19)34-3/h4-14H,15H2,1-3H3,(H,30,32)
InChIKeyXUTFFTLUNOGQQE-UHFFFAOYSA-N
XLogP4.60
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide (CID 25225520) is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccc2F)nc1OC.
What is the InChIKey of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is XUTFFTLUNOGQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3/c1-16-10-17(13-28-12-16)18-11-21(24(29-14-18)20-6-4-5-7-22(20)27)25(32)30-15-19-8-9-23(33-2)26(31-19)34-3/h4-14H,15H2,1-3H3,(H,30,32).
What are the key properties of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide?
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 458.49 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 25225520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).