About 2-but-3-enoxybenzoic acid;2-but-3-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-(2-but-3-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 19-oxo-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaene-20-carboxylate;methyl thiohypofluorite;(8Z)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;(8E)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine
2-but-3-enoxybenzoic acid;2-but-3-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-(2-but-3-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 19-oxo-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaene-20-carboxylate;methyl thiohypofluorite;(8Z)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;(8E)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 159828126) has the molecular formula C160H170FN35O24S
and a molecular weight of 3018.41 g/mol. Its IUPAC name is 2-but-3-enoxybenzoic acid;2-but-3-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-(2-but-3-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 19-oxo-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaene-20-carboxylate;methyl thiohypofluorite;(8Z)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;(8E)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine.
Frequently Asked Questions
What is the IUPAC name of 2-but-3-enoxybenzoic acid;2-but-3-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-(2-but-3-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 19-oxo-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaene-20-carboxylate;methyl thiohypofluorite;(8Z)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;(8E)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The IUPAC name of 2-but-3-enoxybenzoic acid;2-but-3-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-(2-but-3-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 19-oxo-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaene-20-carboxylate;methyl thiohypofluorite;(8Z)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;(8E)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine (CID 159828126) is 2-but-3-enoxybenzoic acid;2-but-3-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-(2-but-3-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 19-oxo-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaene-20-carboxylate;methyl thiohypofluorite;(8Z)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;(8E)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 2-but-3-enoxybenzoic acid;2-but-3-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-(2-but-3-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 19-oxo-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaene-20-carboxylate;methyl thiohypofluorite;(8Z)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;(8E)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The canonical SMILES for 2-but-3-enoxybenzoic acid;2-but-3-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-(2-but-3-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 19-oxo-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaene-20-carboxylate;methyl thiohypofluorite;(8Z)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;(8E)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine is C=CCCOc1ccccc1C(=O)N(C(=O)OC(C)(C)C)c1cccc(-c2nncn2CC=C)n1.C=CCCOc1ccccc1C(=O)Nc1cccc(-c2nncn2CC=C)n1.C=CCCOc1ccccc1C(=O)O.C=CCn1cnnc1-c1cccc(N)n1.CC(C)(C)OC(=O)N1C(=O)c2ccccc2OCCC=CCn2cnnc2-c2cccc1n2.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CSF.O=C1Nc2cccc(n2)-c2nncn2C/C=C/CCOc2ccccc21.O=C1Nc2cccc(n2)-c2nncn2C/C=C\CCOc2ccccc21.O=C1Nc2cccc(n2)-c2nncn2CC=CCCOc2ccccc21.
What is the InChIKey of 2-but-3-enoxybenzoic acid;2-but-3-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-(2-but-3-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 19-oxo-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaene-20-carboxylate;methyl thiohypofluorite;(8Z)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;(8E)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The InChIKey is NNCMJZIJTZOPHC-AXRWZFBGSA-N. The full InChI is InChI=1S/C26H29N5O4.C24H25N5O4.C21H21N5O2.3C19H17N5O2.C11H12O3.C10H11N5.C10H18O5.CH3FS/c1-6-8-17-34-21-14-10-9-12-19(21)24(32)31(25(33)35-26(3,4)5)22-15-11-13-20(28-22)23-29-27-18-30(23)16-7-2;1-24(2,3)33-23(31)29-20-13-9-11-18(26-20)21-27-25-16-28(21)14-7-4-8-15-32-19-12-6-5-10-17(19)22(29)30;1-3-5-14-28-18-11-7-6-9-16(18)21(27)24-19-12-8-10-17(23-19)20-25-22-15-26(20)13-4-2;3*25-19-14-7-2-3-9-16(14)26-12-5-1-4-11-24-13-20-23-18(24)15-8-6-10-17(21-15)22-19;1-2-3-8-14-10-7-5-4-6-9(10)11(12)13;1-2-6-15-7-12-14-10(15)8-4-3-5-9(11)13-8;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-3-2/h6-7,9-15,18H,1-2,8,16-17H2,3-5H3;4-7,9-13,16H,8,14-15H2,1-3H3;3-4,6-12,15H,1-2,5,13-14H2,(H,23,24,27);3*1-4,6-10,13H,5,11-12H2,(H,21,22,25);2,4-7H,1,3,8H2,(H,12,13);2-5,7H,1,6H2,(H2,11,13);1-6H3;1H3/b;;;4-1+;4-1-;;;;;.
What are the key properties of 2-but-3-enoxybenzoic acid;2-but-3-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-(2-but-3-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 19-oxo-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaene-20-carboxylate;methyl thiohypofluorite;(8Z)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;(8E)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine?
2-but-3-enoxybenzoic acid;2-but-3-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-(2-but-3-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 19-oxo-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaene-20-carboxylate;methyl thiohypofluorite;(8Z)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;(8E)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 3018.41 g/mol, XLogP of 29.41, 26 rotatable bonds, 6 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxybenzoic acid;2-but-3-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl N-(2-but-3-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 19-oxo-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaene-20-carboxylate;methyl thiohypofluorite;(8Z)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;(8E)-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13,15,17,21,23-nonaen-19-one;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 159828126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).