N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide

C24H20F2N6O — CID 118500236

IUPACN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(-c3cnccn3)nc2)cnc1-c1ccnc(C(C)(F)F)c1
InChIInChI=1S/C24H20F2N6O/c1-15-9-16(11-31-22(15)17-5-6-29-21(10-17)24(2,25)26)12-32-23(33)18-3-4-19(30-13-18)20-14-27-7-8-28-20/h3-11,13-14H,12H2,1-2H3,(H,32,33)
InChIKeyWLSODQNGNCIUSJ-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.35
Rot. Bonds6

About N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide

N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide (PubChem CID 118500236) has the molecular formula C24H20F2N6O and a molecular weight of 446.46 g/mol. Its IUPAC name is N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
PubChem CID118500236
Molecular FormulaC24H20F2N6O
Molecular Weight446.46 g/mol
Exact Mass446.17
IUPAC NameN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(-c3cnccn3)nc2)cnc1-c1ccnc(C(C)(F)F)c1
InChIInChI=1S/C24H20F2N6O/c1-15-9-16(11-31-22(15)17-5-6-29-21(10-17)24(2,25)26)12-32-23(33)18-3-4-19(30-13-18)20-14-27-7-8-28-20/h3-11,13-14H,12H2,1-2H3,(H,32,33)
InChIKeyWLSODQNGNCIUSJ-UHFFFAOYSA-N
XLogP4.35
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide with MolForge

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Related Compounds

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-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
CID 56597105
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
CID 118500233
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 118500238
tert-butyl 4-[5-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 86679720
N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide
CID 159462784
4-[5-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methylcarbamoyl]-2-pyridinyl]-2-methylpiperazine-1-carboxylic acid
CID 66634403
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 118500223
4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide
CID 89468197
N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 135335325

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide (CID 118500236) is N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide is Cc1cc(CNC(=O)c2ccc(-c3cnccn3)nc2)cnc1-c1ccnc(C(C)(F)F)c1.
What is the InChIKey of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide?
The InChIKey is WLSODQNGNCIUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O/c1-15-9-16(11-31-22(15)17-5-6-29-21(10-17)24(2,25)26)12-32-23(33)18-3-4-19(30-13-18)20-14-27-7-8-28-20/h3-11,13-14H,12H2,1-2H3,(H,32,33).
What are the key properties of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide?
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 118500236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).