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

C22H17FN6O — CID 56597105

IUPACN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
SMILESCc1cc(-c2ncc(CNC(=O)c3ccc(-c4cnccn4)nc3)cc2F)ccn1
InChIInChI=1S/C22H17FN6O/c1-14-8-16(4-5-25-14)21-18(23)9-15(10-28-21)11-29-22(30)17-2-3-19(27-12-17)20-13-24-6-7-26-20/h2-10,12-13H,11H2,1H3,(H,29,30)
InChIKeyOVYHZBLEIHEDCJ-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.37
Rot. Bonds5

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

N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide (PubChem CID 56597105) has the molecular formula C22H17FN6O and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
PubChem CID56597105
Molecular FormulaC22H17FN6O
Molecular Weight400.42 g/mol
Exact Mass400.14
IUPAC NameN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
SMILESCc1cc(-c2ncc(CNC(=O)c3ccc(-c4cnccn4)nc3)cc2F)ccn1
InChIInChI=1S/C22H17FN6O/c1-14-8-16(4-5-25-14)21-18(23)9-15(10-28-21)11-29-22(30)17-2-3-19(27-12-17)20-13-24-6-7-26-20/h2-10,12-13H,11H2,1H3,(H,29,30)
InChIKeyOVYHZBLEIHEDCJ-UHFFFAOYSA-N
XLogP3.37
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
CID 118500236
N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9-oxofluorene-2-carboxamide
CID 134149975
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
CID 118500233
6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 118500223
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-3-methyl-4-pyrazin-2-ylbenzamide
CID 89457567
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide
CID 118500228
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide
CID 56598085
2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 46927365
6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 153360760
2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide
CID 58447714
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide (CID 56597105) is N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide is Cc1cc(-c2ncc(CNC(=O)c3ccc(-c4cnccn4)nc3)cc2F)ccn1.
What is the InChIKey of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide?
The InChIKey is OVYHZBLEIHEDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O/c1-14-8-16(4-5-25-14)21-18(23)9-15(10-28-21)11-29-22(30)17-2-3-19(27-12-17)20-13-24-6-7-26-20/h2-10,12-13H,11H2,1H3,(H,29,30).
What are the key properties of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide?
N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide has a molecular weight of 400.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 56597105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).