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

C25H21F2N5O — CID 118500238

IUPACN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCc1ncccc1-c1ccc(C(=O)NCc2ccc(-c3ccnc(C(C)(F)F)c3)nc2)nc1
InChIInChI=1S/C25H21F2N5O/c1-16-20(4-3-10-28-16)19-6-8-22(31-15-19)24(33)32-14-17-5-7-21(30-13-17)18-9-11-29-23(12-18)25(2,26)27/h3-13,15H,14H2,1-2H3,(H,32,33)
InChIKeyPLCYTYCPNCQPBI-UHFFFAOYSA-N
MW445.47 g/mol
LogP4.95
Rot. Bonds6

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

N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 118500238) has the molecular formula C25H21F2N5O and a molecular weight of 445.47 g/mol. Its IUPAC name is N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID118500238
Molecular FormulaC25H21F2N5O
Molecular Weight445.47 g/mol
Exact Mass445.17
IUPAC NameN-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCc1ncccc1-c1ccc(C(=O)NCc2ccc(-c3ccnc(C(C)(F)F)c3)nc2)nc1
InChIInChI=1S/C25H21F2N5O/c1-16-20(4-3-10-28-16)19-6-8-22(31-15-19)24(33)32-14-17-5-7-21(30-13-17)18-9-11-29-23(12-18)25(2,26)27/h3-13,15H,14H2,1-2H3,(H,32,33)
InChIKeyPLCYTYCPNCQPBI-UHFFFAOYSA-N
XLogP4.95
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
CID 118500233
5-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56598625
5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 66632627
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide
CID 118500228
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
CID 118500236
N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-(1,2-oxazol-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide
CID 135256779
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-3-methyl-4-pyrazin-2-ylbenzamide
CID 89457567
5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-(3-cyanophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-[3-(dimethylamino)phenyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide;5-(3-fluorophenyl)-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-(4-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 159907883
3-(2-hydroxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 143959971
6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 118500223
N-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
CID 66632513
2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide
CID 46908965

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide (CID 118500238) is N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide is Cc1ncccc1-c1ccc(C(=O)NCc2ccc(-c3ccnc(C(C)(F)F)c3)nc2)nc1.
What is the InChIKey of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is PLCYTYCPNCQPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O/c1-16-20(4-3-10-28-16)19-6-8-22(31-15-19)24(33)32-14-17-5-7-21(30-13-17)18-9-11-29-23(12-18)25(2,26)27/h3-13,15H,14H2,1-2H3,(H,32,33).
What are the key properties of N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide?
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 445.47 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 118500238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).