N-[2-[3-(aminomethyl)-4-[(3R,4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3-fluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;(2R)-N-[3-[3-(aminomethyl)-4-pyrrolidin-1-ylphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide

C70H81F2N11O10 — CID 158329858

About N-[2-[3-(aminomethyl)-4-[(3R,4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3-fluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;(2R)-N-[3-[3-(aminomethyl)-4-pyrrolidin-1-ylphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide

N-[2-[3-(aminomethyl)-4-[(3R,4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3-fluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;(2R)-N-[3-[3-(aminomethyl)-4-pyrrolidin-1-ylphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 158329858) has the molecular formula C70H81F2N11O10 and a molecular weight of 1274.48 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)-4-[(3R,4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3-fluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;(2R)-N-[3-[3-(aminomethyl)-4-pyrrolidin-1-ylphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-(aminomethyl)-4-[(3R,4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3-fluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;(2R)-N-[3-[3-(aminomethyl)-4-pyrrolidin-1-ylphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide
• PubChem CID: 158329858
• Molecular Formula: C70H81F2N11O10
• Molecular Weight: 1274.48 g/mol
• Exact Mass: 1273.61
• IUPAC Name: N-[2-[3-(aminomethyl)-4-[(3R,4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3-fluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;(2R)-N-[3-[3-(aminomethyl)-4-pyrrolidin-1-ylphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide
• SMILES: Cc1cc([C@@H]2C[C@H]2C(=O)Nc2cc(-c3ccc(OC4CCOCC4)c(CN)c3)ccn2)on1.NCc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O[C@H]1CCN(C(=O)[C@@H](O)CO)C[C@H]1F.NCc1cc(-c2cccc(NC(=O)C3C[C@H]3F)c2)ccc1N1CCCC1
• InChI: InChI=1S/C25H28N4O4.C24H29FN4O5.C21H24FN3O/c1-15-10-23(33-29-15)20-13-21(20)25(30)28-24-12-17(4-7-27-24)16-2-3-22(18(11-16)14-26)32-19-5-8-31-9-6-19;25-18-12-29(24(33)20(31)13-30)8-6-22(18)34-21-4-3-15(9-16(21)11-26)19-10-17(5-7-27-19)28-23(32)14-1-2-14;22-19-12-18(19)21(26)24-17-5-3-4-14(11-17)15-6-7-20(16(10-15)13-23)25-8-1-2-9-25/h2-4,7,10-12,19-21H,5-6,8-9,13-14,26H2,1H3,(H,27,28,30);3-5,7,9-10,14,18,20,22,30-31H,1-2,6,8,11-13,26H2,(H,27,28,32);3-7,10-11,18-19H,1-2,8-9,12-13,23H2,(H,24,26)/t20-,21-;18-,20+,22+;18?,19-/m111/s1
• InChIKey: GPWGLBKTUGJFIA-BWXYYEITSA-N
• XLogP: 8.74
• TPSA: 308.87 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1274.48
LogP ≤ 5	8.74
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)-4-[(3R,4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3-fluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;(2R)-N-[3-[3-(aminomethyl)-4-pyrrolidin-1-ylphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide?

The IUPAC name of N-[2-[3-(aminomethyl)-4-[(3R,4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3-fluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;(2R)-N-[3-[3-(aminomethyl)-4-pyrrolidin-1-ylphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide (CID 158329858) is N-[2-[3-(aminomethyl)-4-[(3R,4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3-fluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;(2R)-N-[3-[3-(aminomethyl)-4-pyrrolidin-1-ylphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[2-[3-(aminomethyl)-4-[(3R,4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3-fluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;(2R)-N-[3-[3-(aminomethyl)-4-pyrrolidin-1-ylphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[2-[3-(aminomethyl)-4-[(3R,4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3-fluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;(2R)-N-[3-[3-(aminomethyl)-4-pyrrolidin-1-ylphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide is Cc1cc([C@@H]2C[C@H]2C(=O)Nc2cc(-c3ccc(OC4CCOCC4)c(CN)c3)ccn2)on1.NCc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O[C@H]1CCN(C(=O)[C@@H](O)CO)C[C@H]1F.NCc1cc(-c2cccc(NC(=O)C3C[C@H]3F)c2)ccc1N1CCCC1.

What is the InChIKey of N-[2-[3-(aminomethyl)-4-[(3R,4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3-fluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;(2R)-N-[3-[3-(aminomethyl)-4-pyrrolidin-1-ylphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide?

The InChIKey is GPWGLBKTUGJFIA-BWXYYEITSA-N. The full InChI is InChI=1S/C25H28N4O4.C24H29FN4O5.C21H24FN3O/c1-15-10-23(33-29-15)20-13-21(20)25(30)28-24-12-17(4-7-27-24)16-2-3-22(18(11-16)14-26)32-19-5-8-31-9-6-19;25-18-12-29(24(33)20(31)13-30)8-6-22(18)34-21-4-3-15(9-16(21)11-26)19-10-17(5-7-27-19)28-23(32)14-1-2-14;22-19-12-18(19)21(26)24-17-5-3-4-14(11-17)15-6-7-20(16(10-15)13-23)25-8-1-2-9-25/h2-4,7,10-12,19-21H,5-6,8-9,13-14,26H2,1H3,(H,27,28,30);3-5,7,9-10,14,18,20,22,30-31H,1-2,6,8,11-13,26H2,(H,27,28,32);3-7,10-11,18-19H,1-2,8-9,12-13,23H2,(H,24,26)/t20-,21-;18-,20+,22+;18?,19-/m111/s1.

What are the key properties of N-[2-[3-(aminomethyl)-4-[(3R,4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3-fluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;(2R)-N-[3-[3-(aminomethyl)-4-pyrrolidin-1-ylphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide?

N-[2-[3-(aminomethyl)-4-[(3R,4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3-fluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;(2R)-N-[3-[3-(aminomethyl)-4-pyrrolidin-1-ylphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 1274.48 g/mol, XLogP of 8.74, 20 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(aminomethyl)-4-[(3R,4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3-fluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;(2R)-N-[3-[3-(aminomethyl)-4-pyrrolidin-1-ylphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2R)-N-[4-[3-(aminomethyl)-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 158329858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).