N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide

C42H34F4N8O5 — CID 159344855

IUPACN-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide
SMILESNCC(=O)c1ccc(CN(C(=O)c2cccnc2)c2cccc(F)c2)nc1.O=C(CNC(=O)C(F)F)c1ccc(CN(C(=O)c2cccnc2)c2cccc(F)c2)nc1
InChIInChI=1S/C22H17F3N4O3.C20H17FN4O2/c23-16-4-1-5-18(9-16)29(22(32)15-3-2-8-26-10-15)13-17-7-6-14(11-27-17)19(30)12-28-21(31)20(24)25;21-16-4-1-5-18(9-16)25(20(27)15-3-2-8-23-11-15)13-17-7-6-14(12-24-17)19(26)10-22/h1-11,20H,12-13H2,(H,28,31);1-9,11-12H,10,13,22H2
InChIKeyLGPBGFHEWVCVIC-UHFFFAOYSA-N
MW806.78 g/mol
LogP5.63
Rot. Bonds14

About N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide

N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 159344855) has the molecular formula C42H34F4N8O5 and a molecular weight of 806.78 g/mol. Its IUPAC name is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID159344855
Molecular FormulaC42H34F4N8O5
Molecular Weight806.78 g/mol
Exact Mass806.26
IUPAC NameN-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide
SMILESNCC(=O)c1ccc(CN(C(=O)c2cccnc2)c2cccc(F)c2)nc1.O=C(CNC(=O)C(F)F)c1ccc(CN(C(=O)c2cccnc2)c2cccc(F)c2)nc1
InChIInChI=1S/C22H17F3N4O3.C20H17FN4O2/c23-16-4-1-5-18(9-16)29(22(32)15-3-2-8-26-10-15)13-17-7-6-14(11-27-17)19(30)12-28-21(31)20(24)25;21-16-4-1-5-18(9-16)25(20(27)15-3-2-8-23-11-15)13-17-7-6-14(12-24-17)19(26)10-22/h1-11,20H,12-13H2,(H,28,31);1-9,11-12H,10,13,22H2
InChIKeyLGPBGFHEWVCVIC-UHFFFAOYSA-N
XLogP5.63
TPSA181.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.78
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide
CID 158747702
methyl 6-[[3-fluoro-N-(pyridine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate
CID 126544485
2,2-difluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide
CID 158180902
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(4-chlorophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide;N-(4-chlorophenyl)-N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 158286066
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)-4-(oxetan-3-yl)piperazine-1-carboxamide
CID 158063713
2,2-difluoro-N-[2-[6-[(N-(4-methylpiperazin-1-yl)sulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide
CID 158652047
3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 39372159
N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide
CID 159070876
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 161101716
N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 3423087
N-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide
CID 161031991
N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360716

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide (CID 159344855) is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide is NCC(=O)c1ccc(CN(C(=O)c2cccnc2)c2cccc(F)c2)nc1.O=C(CNC(=O)C(F)F)c1ccc(CN(C(=O)c2cccnc2)c2cccc(F)c2)nc1.
What is the InChIKey of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is LGPBGFHEWVCVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O3.C20H17FN4O2/c23-16-4-1-5-18(9-16)29(22(32)15-3-2-8-26-10-15)13-17-7-6-14(11-27-17)19(30)12-28-21(31)20(24)25;21-16-4-1-5-18(9-16)25(20(27)15-3-2-8-23-11-15)13-17-7-6-14(12-24-17)19(26)10-22/h1-11,20H,12-13H2,(H,28,31);1-9,11-12H,10,13,22H2.
What are the key properties of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide?
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 806.78 g/mol, XLogP of 5.63, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 159344855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).