N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide

C24H20FN5O — CID 56597379

IUPACN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1cc(-c2ncc(CNC(=O)c3ccc(-c4ncccc4C)cn3)cc2F)ccn1
InChIInChI=1S/C24H20FN5O/c1-15-4-3-8-27-22(15)19-5-6-21(28-14-19)24(31)30-13-17-11-20(25)23(29-12-17)18-7-9-26-16(2)10-18/h3-12,14H,13H2,1-2H3,(H,30,31)
InChIKeyNVZXCTGKSXYKAH-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.29
Rot. Bonds5

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

N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 56597379) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
PubChem CID56597379
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC NameN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1cc(-c2ncc(CNC(=O)c3ccc(-c4ncccc4C)cn3)cc2F)ccn1
InChIInChI=1S/C24H20FN5O/c1-15-4-3-8-27-22(15)19-5-6-21(28-14-19)24(31)30-13-17-11-20(25)23(29-12-17)18-7-9-26-16(2)10-18/h3-12,14H,13H2,1-2H3,(H,30,31)
InChIKeyNVZXCTGKSXYKAH-UHFFFAOYSA-N
XLogP4.29
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide (CID 56597379) is N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide is Cc1cc(-c2ncc(CNC(=O)c3ccc(-c4ncccc4C)cn3)cc2F)ccn1.
What is the InChIKey of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is NVZXCTGKSXYKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c1-15-4-3-8-27-22(15)19-5-6-21(28-14-19)24(31)30-13-17-11-20(25)23(29-12-17)18-7-9-26-16(2)10-18/h3-12,14H,13H2,1-2H3,(H,30,31).
What are the key properties of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide?
N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 56597379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).