N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide

C26H23FN4O3 — CID 46191662

IUPACN-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccc2F)nc1OC
InChIInChI=1S/C26H23FN4O3/c1-16-10-17(13-28-12-16)23-11-20(21(15-29-23)19-6-4-5-7-22(19)27)25(32)30-14-18-8-9-24(33-2)26(31-18)34-3/h4-13,15H,14H2,1-3H3,(H,30,32)
InChIKeyUNLHGMHBQYXFKE-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.60
Rot. Bonds7

About N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide

N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 46191662) 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]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
PubChem CID46191662
Molecular FormulaC26H23FN4O3
Molecular Weight458.49 g/mol
Exact Mass458.18
IUPAC NameN-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccc2F)nc1OC
InChIInChI=1S/C26H23FN4O3/c1-16-10-17(13-28-12-16)23-11-20(21(15-29-23)19-6-4-5-7-22(19)27)25(32)30-14-18-8-9-24(33-2)26(31-18)34-3/h4-13,15H,14H2,1-3H3,(H,30,32)
InChIKeyUNLHGMHBQYXFKE-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]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide (CID 46191662) is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide is COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccc2F)nc1OC.
What is the InChIKey of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is UNLHGMHBQYXFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3/c1-16-10-17(13-28-12-16)23-11-20(21(15-29-23)19-6-4-5-7-22(19)27)25(32)30-14-18-8-9-24(33-2)26(31-18)34-3/h4-13,15H,14H2,1-3H3,(H,30,32).
What are the key properties of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide?
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-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]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 46191662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).