bis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid

C68H63FN18O6 — CID 158132823

IUPACbis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid
SMILESCc1cc(CN)cnc1-c1cc[nH]c(=O)c1.Cc1cc(CN)cnc1-c1cc[nH]c(=O)c1.Cc1cc(CN)cnc1-c1ccnc(F)c1.Cc1cc(CNC(=O)c2ccc(-c3cnccn3)cn2)cnc1-c1cc[nH]c(=O)c1.O=C(O)c1ccc(-c2cnccn2)cn1
InChIInChI=1S/C22H18N6O2.C12H12FN3.2C12H13N3O.C10H7N3O2/c1-14-8-15(10-27-21(14)16-4-5-25-20(29)9-16)11-28-22(30)18-3-2-17(12-26-18)19-13-23-6-7-24-19;1-8-4-9(6-14)7-16-12(8)10-2-3-15-11(13)5-10;2*1-8-4-9(6-13)7-15-12(8)10-2-3-14-11(16)5-10;14-10(15)8-2-1-7(5-13-8)9-6-11-3-4-12-9/h2-10,12-13H,11H2,1H3,(H,25,29)(H,28,30);2-5,7H,6,14H2,1H3;2*2-5,7H,6,13H2,1H3,(H,14,16);1-6H,(H,14,15)
InChIKeyFSZIYZQQKVOCGY-UHFFFAOYSA-N
MW1247.37 g/mol
LogP8.22
Rot. Bonds13

About bis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid

bis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid (PubChem CID 158132823) has the molecular formula C68H63FN18O6 and a molecular weight of 1247.37 g/mol. Its IUPAC name is bis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Namebis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid
PubChem CID158132823
Molecular FormulaC68H63FN18O6
Molecular Weight1247.37 g/mol
Exact Mass1246.52
IUPAC Namebis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid
SMILESCc1cc(CN)cnc1-c1cc[nH]c(=O)c1.Cc1cc(CN)cnc1-c1cc[nH]c(=O)c1.Cc1cc(CN)cnc1-c1ccnc(F)c1.Cc1cc(CNC(=O)c2ccc(-c3cnccn3)cn2)cnc1-c1cc[nH]c(=O)c1.O=C(O)c1ccc(-c2cnccn2)cn1
InChIInChI=1S/C22H18N6O2.C12H12FN3.2C12H13N3O.C10H7N3O2/c1-14-8-15(10-27-21(14)16-4-5-25-20(29)9-16)11-28-22(30)18-3-2-17(12-26-18)19-13-23-6-7-24-19;1-8-4-9(6-14)7-16-12(8)10-2-3-15-11(13)5-10;2*1-8-4-9(6-13)7-15-12(8)10-2-3-14-11(16)5-10;14-10(15)8-2-1-7(5-13-8)9-6-11-3-4-12-9/h2-10,12-13H,11H2,1H3,(H,25,29)(H,28,30);2-5,7H,6,14H2,1H3;2*2-5,7H,6,13H2,1H3,(H,14,16);1-6H,(H,14,15)
InChIKeyFSZIYZQQKVOCGY-UHFFFAOYSA-N
XLogP8.22
TPSA384.83 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001247.37
LogP ≤ 58.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze bis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

5-[[2-(2-Piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid
CID 67128133
methyl N-[(3R,4S,5S)-3-amino-1-[3-[[6-[2,6-difluoro-4-(4-hydroxyoxan-4-yl)phenyl]-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate
CID 91937628
US20250042857, Example B-129
CID 169683233
Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);samarium
CID 139213299
Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);europium
CID 139213314
Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);terbium
CID 139213329
Dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid)
CID 139213344
N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-[5-hydroxy-5-(2-pyridinyl)-4,5-dihydro-3-isoxazolyl]-5-(5-methyl-2-pyridinyl)benzamide
CID 66895805
5-[3,3-Difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methylpyridin-4-yl]propyl]pyridine-2-carboxylic acid
CID 69243400
5-[3-Fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid
CID 69244084
5-[3,3-Difluoro-3-[2-methyl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-4-yl]propyl]pyridine-2-carboxylic acid
CID 69244524
4-[3-Fluoro-3-[2-methyl-6-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]propyl]benzoic acid
CID 69244531

Frequently Asked Questions

What is the IUPAC name of bis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid?
The IUPAC name of bis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid (CID 158132823) is bis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid.
What is the SMILES notation for bis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid?
The canonical SMILES for bis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid is Cc1cc(CN)cnc1-c1cc[nH]c(=O)c1.Cc1cc(CN)cnc1-c1cc[nH]c(=O)c1.Cc1cc(CN)cnc1-c1ccnc(F)c1.Cc1cc(CNC(=O)c2ccc(-c3cnccn3)cn2)cnc1-c1cc[nH]c(=O)c1.O=C(O)c1ccc(-c2cnccn2)cn1.
What is the InChIKey of bis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid?
The InChIKey is FSZIYZQQKVOCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2.C12H12FN3.2C12H13N3O.C10H7N3O2/c1-14-8-15(10-27-21(14)16-4-5-25-20(29)9-16)11-28-22(30)18-3-2-17(12-26-18)19-13-23-6-7-24-19;1-8-4-9(6-14)7-16-12(8)10-2-3-15-11(13)5-10;2*1-8-4-9(6-13)7-15-12(8)10-2-3-14-11(16)5-10;14-10(15)8-2-1-7(5-13-8)9-6-11-3-4-12-9/h2-10,12-13H,11H2,1H3,(H,25,29)(H,28,30);2-5,7H,6,14H2,1H3;2*2-5,7H,6,13H2,1H3,(H,14,16);1-6H,(H,14,15).
What are the key properties of bis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid?
bis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid has a molecular weight of 1247.37 g/mol, XLogP of 8.22, 13 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 158132823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).