About N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-methylcyclopropane-1-carboxamide;N-[2-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(1-methyltriazole-4-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1,3-oxazol-5-yl)cyclopropane-1-carboxamide
N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-methylcyclopropane-1-carboxamide;N-[2-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(1-methyltriazole-4-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1,3-oxazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 158154381) has the molecular formula C74H84F2N14O11
and a molecular weight of 1383.57 g/mol. Its IUPAC name is N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-methylcyclopropane-1-carboxamide;N-[2-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(1-methyltriazole-4-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1,3-oxazol-5-yl)cyclopropane-1-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-methylcyclopropane-1-carboxamide;N-[2-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(1-methyltriazole-4-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1,3-oxazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-methylcyclopropane-1-carboxamide;N-[2-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(1-methyltriazole-4-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1,3-oxazol-5-yl)cyclopropane-1-carboxamide (CID 158154381) is N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-methylcyclopropane-1-carboxamide;N-[2-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(1-methyltriazole-4-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1,3-oxazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-methylcyclopropane-1-carboxamide;N-[2-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(1-methyltriazole-4-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1,3-oxazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-methylcyclopropane-1-carboxamide;N-[2-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(1-methyltriazole-4-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1,3-oxazol-5-yl)cyclopropane-1-carboxamide is CC1CC1C(=O)Nc1cccc(-c2ccc(O[C@H]3CCN(C(=O)CO)C[C@H]3F)c(CN)c2)c1.Cn1cc(C(=O)N2CCC(Oc3ccc(-c4cc(NC(=O)C5CC5)ccn4)cc3CN)[C@H](F)C2)nn1.NCc1cc(-c2ccnc(NC(=O)[C@@H]3C[C@H]3c3cnco3)c2)ccc1OC1CCOCC1.
What is the InChIKey of N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-methylcyclopropane-1-carboxamide;N-[2-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(1-methyltriazole-4-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1,3-oxazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is FVMQHPJLILRRQM-VFOGKUTJSA-N. The full InChI is InChI=1S/C25H28FN7O3.C25H30FN3O4.C24H26N4O4/c1-32-14-21(30-31-32)25(35)33-9-7-23(19(26)13-33)36-22-5-4-16(10-17(22)12-27)20-11-18(6-8-28-20)29-24(34)15-2-3-15;1-15-9-20(15)25(32)28-19-4-2-3-16(11-19)17-5-6-22(18(10-17)12-27)33-23-7-8-29(13-21(23)26)24(31)14-30;25-12-17-9-15(1-2-21(17)32-18-4-7-30-8-5-18)16-3-6-27-23(10-16)28-24(29)20-11-19(20)22-13-26-14-31-22/h4-6,8,10-11,14-15,19,23H,2-3,7,9,12-13,27H2,1H3,(H,28,29,34);2-6,10-11,15,20-21,23,30H,7-9,12-14,27H2,1H3,(H,28,32);1-3,6,9-10,13-14,18-20H,4-5,7-8,11-12,25H2,(H,27,28,29)/t19-,23?;15?,20?,21-,23+;19-,20-/m111/s1.
What are the key properties of N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-methylcyclopropane-1-carboxamide;N-[2-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(1-methyltriazole-4-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1,3-oxazol-5-yl)cyclopropane-1-carboxamide?
N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-methylcyclopropane-1-carboxamide;N-[2-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(1-methyltriazole-4-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1,3-oxazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 1383.57 g/mol, XLogP of 8.53, 21 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-methylcyclopropane-1-carboxamide;N-[2-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(1-methyltriazole-4-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1,3-oxazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 158154381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).