ethyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1H-pyridine-3-carboxylic acid

C57H59F3N10O17 — CID 158854910

IUPACethyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1H-pyridine-3-carboxylic acid
SMILESCCOC(=O)c1ccc(=O)[nH]c1.CCOC(=O)c1ccc(=O)n(CCOC)c1.COCCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O.COCCn1cc(C(=O)O)ccc1=O.O=C(O)c1ccc(=O)[nH]c1
InChIInChI=1S/C23H19F3N6O3.C11H15NO4.C9H11NO4.C8H9NO3.C6H5NO3/c1-35-10-9-31-14-16(4-7-21(31)33)22(34)29-20-6-5-17(13-28-20)32-19(23(24,25)26)11-18(30-32)15-3-2-8-27-12-15;1-3-16-11(14)9-4-5-10(13)12(8-9)6-7-15-2;1-14-5-4-10-6-7(9(12)13)2-3-8(10)11;1-2-12-8(11)6-3-4-7(10)9-5-6;8-5-2-1-4(3-7-5)6(9)10/h2-8,11-14H,9-10H2,1H3,(H,28,29,34);4-5,8H,3,6-7H2,1-2H3;2-3,6H,4-5H2,1H3,(H,12,13);3-5H,2H2,1H3,(H,9,10);1-3H,(H,7,8)(H,9,10)
InChIKeyIZXRSTUEKSLOLJ-UHFFFAOYSA-N
MW1213.15 g/mol
LogP4.90
Rot. Bonds19

About ethyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1H-pyridine-3-carboxylic acid

ethyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 158854910) has the molecular formula C57H59F3N10O17 and a molecular weight of 1213.15 g/mol. Its IUPAC name is ethyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Nameethyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID158854910
Molecular FormulaC57H59F3N10O17
Molecular Weight1213.15 g/mol
Exact Mass1212.40
IUPAC Nameethyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1H-pyridine-3-carboxylic acid
SMILESCCOC(=O)c1ccc(=O)[nH]c1.CCOC(=O)c1ccc(=O)n(CCOC)c1.COCCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O.COCCn1cc(C(=O)O)ccc1=O.O=C(O)c1ccc(=O)[nH]c1
InChIInChI=1S/C23H19F3N6O3.C11H15NO4.C9H11NO4.C8H9NO3.C6H5NO3/c1-35-10-9-31-14-16(4-7-21(31)33)22(34)29-20-6-5-17(13-28-20)32-19(23(24,25)26)11-18(30-32)15-3-2-8-27-12-15;1-3-16-11(14)9-4-5-10(13)12(8-9)6-7-15-2;1-14-5-4-10-6-7(9(12)13)2-3-8(10)11;1-2-12-8(11)6-3-4-7(10)9-5-6;8-5-2-1-4(3-7-5)6(9)10/h2-8,11-14H,9-10H2,1H3,(H,28,29,34);4-5,8H,3,6-7H2,1-2H3;2-3,6H,4-5H2,1H3,(H,12,13);3-5H,2H2,1H3,(H,9,10);1-3H,(H,7,8)(H,9,10)
InChIKeyIZXRSTUEKSLOLJ-UHFFFAOYSA-N
XLogP4.90
TPSA359.31 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.15
LogP ≤ 54.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze ethyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1H-pyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

BI-1935
CID 57861407
6-oxo-1-(2-piperidin-1-ylethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 57861335
1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 57861339
1-Dimethylcarbamoylmethyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic Acid [6-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridin-3-yl]-amide
CID 57861348
{2-oxo-5-[6-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridin-3-ylcarbamoyl]-2H-pyridin-1-yl}-acetic acid ethyl ester
CID 57861358
1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 57861378
1-[3-(ethylamino)-3-oxopropyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 57861386
1-methyl-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 57861409
6-oxo-1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 57861434
6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]-1-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 57861443
1-(2-Methoxy-ethyl)-6-oxo-1,6-dihydro-pyridine-3-carboxylic Acid [6-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridin-3-yl]-amide
CID 57861458
1-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 57861488

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of ethyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1H-pyridine-3-carboxylic acid (CID 158854910) is ethyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for ethyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for ethyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1H-pyridine-3-carboxylic acid is CCOC(=O)c1ccc(=O)[nH]c1.CCOC(=O)c1ccc(=O)n(CCOC)c1.COCCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O.COCCn1cc(C(=O)O)ccc1=O.O=C(O)c1ccc(=O)[nH]c1.
What is the InChIKey of ethyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is IZXRSTUEKSLOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O3.C11H15NO4.C9H11NO4.C8H9NO3.C6H5NO3/c1-35-10-9-31-14-16(4-7-21(31)33)22(34)29-20-6-5-17(13-28-20)32-19(23(24,25)26)11-18(30-32)15-3-2-8-27-12-15;1-3-16-11(14)9-4-5-10(13)12(8-9)6-7-15-2;1-14-5-4-10-6-7(9(12)13)2-3-8(10)11;1-2-12-8(11)6-3-4-7(10)9-5-6;8-5-2-1-4(3-7-5)6(9)10/h2-8,11-14H,9-10H2,1H3,(H,28,29,34);4-5,8H,3,6-7H2,1-2H3;2-3,6H,4-5H2,1H3,(H,12,13);3-5H,2H2,1H3,(H,9,10);1-3H,(H,7,8)(H,9,10).
What are the key properties of ethyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1H-pyridine-3-carboxylic acid?
ethyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 1213.15 g/mol, XLogP of 4.90, 19 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;ethyl 6-oxo-1H-pyridine-3-carboxylate;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 158854910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).