5-[5-amino-6-[3-[3-(hydroxymethyl)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;[2-(aminomethyl)-3-pyridinyl]methanol;(2-ethyl-3-pyridinyl)methanol;methyl 2-(aminomethyl)pyridine-3-carboxylate;methyl 2-ethylpyridine-3-carboxylate

C68H73N17O14 — CID 158648556

IUPAC5-[5-amino-6-[3-[3-(hydroxymethyl)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;[2-(aminomethyl)-3-pyridinyl]methanol;(2-ethyl-3-pyridinyl)methanol;methyl 2-(aminomethyl)pyridine-3-carboxylate;methyl 2-ethylpyridine-3-carboxylate
SMILESCCc1ncccc1C(=O)OC.CCc1ncccc1CO.COC(=O)c1cccnc1CN.Cn1cc(-c2nc(C(=O)CCc3ncccc3CO)c(N)nc2-c2ncco2)ccc1=O.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.NCc1ncccc1CO
InChIInChI=1S/C22H20N6O4.C14H11N5O4.C9H11NO2.C8H10N2O2.C8H11NO.C7H10N2O/c1-28-11-13(4-7-17(28)31)18-20(22-25-9-10-32-22)27-21(23)19(26-18)16(30)6-5-15-14(12-29)3-2-8-24-15;1-19-6-7(2-3-8(19)20)9-10(13-16-4-5-23-13)18-12(15)11(17-9)14(21)22;1-3-8-7(9(11)12-2)5-4-6-10-8;1-12-8(11)6-3-2-4-10-7(6)5-9;1-2-8-7(6-10)4-3-5-9-8;8-4-7-6(5-10)2-1-3-9-7/h2-4,7-11,29H,5-6,12H2,1H3,(H2,23,27);2-6H,1H3,(H2,15,18)(H,21,22);4-6H,3H2,1-2H3;2-4H,5,9H2,1H3;3-5,10H,2,6H2,1H3;1-3,10H,4-5,8H2
InChIKeyIBGRADLCKHUMGR-UHFFFAOYSA-N
MW1352.44 g/mol
LogP5.49
Rot. Bonds18

About 5-[5-amino-6-[3-[3-(hydroxymethyl)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;[2-(aminomethyl)-3-pyridinyl]methanol;(2-ethyl-3-pyridinyl)methanol;methyl 2-(aminomethyl)pyridine-3-carboxylate;methyl 2-ethylpyridine-3-carboxylate

5-[5-amino-6-[3-[3-(hydroxymethyl)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;[2-(aminomethyl)-3-pyridinyl]methanol;(2-ethyl-3-pyridinyl)methanol;methyl 2-(aminomethyl)pyridine-3-carboxylate;methyl 2-ethylpyridine-3-carboxylate (PubChem CID 158648556) has the molecular formula C68H73N17O14 and a molecular weight of 1352.44 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[3-(hydroxymethyl)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;[2-(aminomethyl)-3-pyridinyl]methanol;(2-ethyl-3-pyridinyl)methanol;methyl 2-(aminomethyl)pyridine-3-carboxylate;methyl 2-ethylpyridine-3-carboxylate.

Molecular Properties

Compound Name5-[5-amino-6-[3-[3-(hydroxymethyl)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;[2-(aminomethyl)-3-pyridinyl]methanol;(2-ethyl-3-pyridinyl)methanol;methyl 2-(aminomethyl)pyridine-3-carboxylate;methyl 2-ethylpyridine-3-carboxylate
PubChem CID158648556
Molecular FormulaC68H73N17O14
Molecular Weight1352.44 g/mol
Exact Mass1351.55
IUPAC Name5-[5-amino-6-[3-[3-(hydroxymethyl)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;[2-(aminomethyl)-3-pyridinyl]methanol;(2-ethyl-3-pyridinyl)methanol;methyl 2-(aminomethyl)pyridine-3-carboxylate;methyl 2-ethylpyridine-3-carboxylate
SMILESCCc1ncccc1C(=O)OC.CCc1ncccc1CO.COC(=O)c1cccnc1CN.Cn1cc(-c2nc(C(=O)CCc3ncccc3CO)c(N)nc2-c2ncco2)ccc1=O.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.NCc1ncccc1CO
InChIInChI=1S/C22H20N6O4.C14H11N5O4.C9H11NO2.C8H10N2O2.C8H11NO.C7H10N2O/c1-28-11-13(4-7-17(28)31)18-20(22-25-9-10-32-22)27-21(23)19(26-18)16(30)6-5-15-14(12-29)3-2-8-24-15;1-19-6-7(2-3-8(19)20)9-10(13-16-4-5-23-13)18-12(15)11(17-9)14(21)22;1-3-8-7(9(11)12-2)5-4-6-10-8;1-12-8(11)6-3-2-4-10-7(6)5-9;1-2-8-7(6-10)4-3-5-9-8;8-4-7-6(5-10)2-1-3-9-7/h2-4,7-11,29H,5-6,12H2,1H3,(H2,23,27);2-6H,1H3,(H2,15,18)(H,21,22);4-6H,3H2,1-2H3;2-4H,5,9H2,1H3;3-5,10H,2,6H2,1H3;1-3,10H,4-5,8H2
InChIKeyIBGRADLCKHUMGR-UHFFFAOYSA-N
XLogP5.49
TPSA483.81 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds18
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001352.44
LogP ≤ 55.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze 5-[5-amino-6-[3-[3-(hydroxymethyl)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;[2-(aminomethyl)-3-pyridinyl]methanol;(2-ethyl-3-pyridinyl)methanol;methyl 2-(aminomethyl)pyridine-3-carboxylate;methyl 2-ethylpyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[3-[3-(hydroxymethyl)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;[2-(aminomethyl)-3-pyridinyl]methanol;(2-ethyl-3-pyridinyl)methanol;methyl 2-(aminomethyl)pyridine-3-carboxylate;methyl 2-ethylpyridine-3-carboxylate?
The IUPAC name of 5-[5-amino-6-[3-[3-(hydroxymethyl)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;[2-(aminomethyl)-3-pyridinyl]methanol;(2-ethyl-3-pyridinyl)methanol;methyl 2-(aminomethyl)pyridine-3-carboxylate;methyl 2-ethylpyridine-3-carboxylate (CID 158648556) is 5-[5-amino-6-[3-[3-(hydroxymethyl)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;[2-(aminomethyl)-3-pyridinyl]methanol;(2-ethyl-3-pyridinyl)methanol;methyl 2-(aminomethyl)pyridine-3-carboxylate;methyl 2-ethylpyridine-3-carboxylate.
What is the SMILES notation for 5-[5-amino-6-[3-[3-(hydroxymethyl)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;[2-(aminomethyl)-3-pyridinyl]methanol;(2-ethyl-3-pyridinyl)methanol;methyl 2-(aminomethyl)pyridine-3-carboxylate;methyl 2-ethylpyridine-3-carboxylate?
The canonical SMILES for 5-[5-amino-6-[3-[3-(hydroxymethyl)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;[2-(aminomethyl)-3-pyridinyl]methanol;(2-ethyl-3-pyridinyl)methanol;methyl 2-(aminomethyl)pyridine-3-carboxylate;methyl 2-ethylpyridine-3-carboxylate is CCc1ncccc1C(=O)OC.CCc1ncccc1CO.COC(=O)c1cccnc1CN.Cn1cc(-c2nc(C(=O)CCc3ncccc3CO)c(N)nc2-c2ncco2)ccc1=O.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.NCc1ncccc1CO.
What is the InChIKey of 5-[5-amino-6-[3-[3-(hydroxymethyl)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;[2-(aminomethyl)-3-pyridinyl]methanol;(2-ethyl-3-pyridinyl)methanol;methyl 2-(aminomethyl)pyridine-3-carboxylate;methyl 2-ethylpyridine-3-carboxylate?
The InChIKey is IBGRADLCKHUMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4.C14H11N5O4.C9H11NO2.C8H10N2O2.C8H11NO.C7H10N2O/c1-28-11-13(4-7-17(28)31)18-20(22-25-9-10-32-22)27-21(23)19(26-18)16(30)6-5-15-14(12-29)3-2-8-24-15;1-19-6-7(2-3-8(19)20)9-10(13-16-4-5-23-13)18-12(15)11(17-9)14(21)22;1-3-8-7(9(11)12-2)5-4-6-10-8;1-12-8(11)6-3-2-4-10-7(6)5-9;1-2-8-7(6-10)4-3-5-9-8;8-4-7-6(5-10)2-1-3-9-7/h2-4,7-11,29H,5-6,12H2,1H3,(H2,23,27);2-6H,1H3,(H2,15,18)(H,21,22);4-6H,3H2,1-2H3;2-4H,5,9H2,1H3;3-5,10H,2,6H2,1H3;1-3,10H,4-5,8H2.
What are the key properties of 5-[5-amino-6-[3-[3-(hydroxymethyl)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;[2-(aminomethyl)-3-pyridinyl]methanol;(2-ethyl-3-pyridinyl)methanol;methyl 2-(aminomethyl)pyridine-3-carboxylate;methyl 2-ethylpyridine-3-carboxylate?
5-[5-amino-6-[3-[3-(hydroxymethyl)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;[2-(aminomethyl)-3-pyridinyl]methanol;(2-ethyl-3-pyridinyl)methanol;methyl 2-(aminomethyl)pyridine-3-carboxylate;methyl 2-ethylpyridine-3-carboxylate has a molecular weight of 1352.44 g/mol, XLogP of 5.49, 18 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[3-[3-(hydroxymethyl)-2-pyridinyl]propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;[2-(aminomethyl)-3-pyridinyl]methanol;(2-ethyl-3-pyridinyl)methanol;methyl 2-(aminomethyl)pyridine-3-carboxylate;methyl 2-ethylpyridine-3-carboxylate is sourced from PubChem (CID 158648556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).