benzyl N-[1-[2-(1-amino-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-(2,6-dichloro-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclopropyl]carbamate;2,6-dichloropyridine-4-carbonitrile;1-(2,6-dichloro-4-pyridinyl)cyclopropan-1-amine

C125H119Cl7F3N15O12 — CID 159322727

About benzyl N-[1-[2-(1-amino-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-(2,6-dichloro-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclopropyl]carbamate;2,6-dichloropyridine-4-carbonitrile;1-(2,6-dichloro-4-pyridinyl)cyclopropan-1-amine

benzyl N-[1-[2-(1-amino-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-(2,6-dichloro-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclopropyl]carbamate;2,6-dichloropyridine-4-carbonitrile;1-(2,6-dichloro-4-pyridinyl)cyclopropan-1-amine (PubChem CID 159322727) has the molecular formula C125H119Cl7F3N15O12 and a molecular weight of 2328.58 g/mol. Its IUPAC name is benzyl N-[1-[2-(1-amino-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-(2,6-dichloro-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclopropyl]carbamate;2,6-dichloropyridine-4-carbonitrile;1-(2,6-dichloro-4-pyridinyl)cyclopropan-1-amine.

Molecular Properties

• Compound Name: benzyl N-[1-[2-(1-amino-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-(2,6-dichloro-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclopropyl]carbamate;2,6-dichloropyridine-4-carbonitrile;1-(2,6-dichloro-4-pyridinyl)cyclopropan-1-amine
• PubChem CID: 159322727
• Molecular Formula: C125H119Cl7F3N15O12
• Molecular Weight: 2328.58 g/mol
• Exact Mass: 2323.69
• IUPAC Name: benzyl N-[1-[2-(1-amino-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-(2,6-dichloro-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclopropyl]carbamate;2,6-dichloropyridine-4-carbonitrile;1-(2,6-dichloro-4-pyridinyl)cyclopropan-1-amine
• SMILES: C=C(C)c1cc(C2(NC(=O)OCc3ccccc3)CC2)cc(-c2ccc(F)cc2)n1.C=C(C)c1cc(C2(NC(=O)OCc3ccccc3)CC2)cc(Cl)n1.CC(O)(CN)c1cc(C2(NC(=O)OCc3ccccc3)CC2)cc(-c2ccc(F)cc2)n1.CCC(C)(O)c1cc(C2(NC(=O)OCc3ccccc3)CC2)cc(-c2ccc(F)cc2)n1.N#Cc1cc(Cl)nc(Cl)c1.NC1(c2cc(Cl)nc(Cl)c2)CC1.O=C(NC1(c2cc(Cl)nc(Cl)c2)CC1)OCc1ccccc1
• InChI: InChI=1S/C26H27FN2O3.C25H26FN3O3.C25H23FN2O2.C19H19ClN2O2.C16H14Cl2N2O2.C8H8Cl2N2.C6H2Cl2N2/c1-3-25(2,31)23-16-20(15-22(28-23)19-9-11-21(27)12-10-19)26(13-14-26)29-24(30)32-17-18-7-5-4-6-8-18;1-24(31,16-27)22-14-19(13-21(28-22)18-7-9-20(26)10-8-18)25(11-12-25)29-23(30)32-15-17-5-3-2-4-6-17;1-17(2)22-14-20(15-23(27-22)19-8-10-21(26)11-9-19)25(12-13-25)28-24(29)30-16-18-6-4-3-5-7-18;1-13(2)16-10-15(11-17(20)21-16)19(8-9-19)22-18(23)24-12-14-6-4-3-5-7-14;17-13-8-12(9-14(18)19-13)16(6-7-16)20-15(21)22-10-11-4-2-1-3-5-11;9-6-3-5(4-7(10)12-6)8(11)1-2-8;7-5-1-4(3-9)2-6(8)10-5/h4-12,15-16,31H,3,13-14,17H2,1-2H3,(H,29,30);2-10,13-14,31H,11-12,15-16,27H2,1H3,(H,29,30);3-11,14-15H,1,12-13,16H2,2H3,(H,28,29);3-7,10-11H,1,8-9,12H2,2H3,(H,22,23);1-5,8-9H,6-7,10H2,(H,20,21);3-4H,1-2,11H2;1-2H
• InChIKey: LDYXCPMLEOUHIY-UHFFFAOYSA-N
• XLogP: 28.81
• TPSA: 398.17 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 30
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2328.58
LogP ≤ 5	28.81
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[2-(1-amino-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-(2,6-dichloro-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclopropyl]carbamate;2,6-dichloropyridine-4-carbonitrile;1-(2,6-dichloro-4-pyridinyl)cyclopropan-1-amine?

The IUPAC name of benzyl N-[1-[2-(1-amino-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-(2,6-dichloro-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclopropyl]carbamate;2,6-dichloropyridine-4-carbonitrile;1-(2,6-dichloro-4-pyridinyl)cyclopropan-1-amine (CID 159322727) is benzyl N-[1-[2-(1-amino-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-(2,6-dichloro-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclopropyl]carbamate;2,6-dichloropyridine-4-carbonitrile;1-(2,6-dichloro-4-pyridinyl)cyclopropan-1-amine.

What is the SMILES notation for benzyl N-[1-[2-(1-amino-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-(2,6-dichloro-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclopropyl]carbamate;2,6-dichloropyridine-4-carbonitrile;1-(2,6-dichloro-4-pyridinyl)cyclopropan-1-amine?

The canonical SMILES for benzyl N-[1-[2-(1-amino-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-(2,6-dichloro-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclopropyl]carbamate;2,6-dichloropyridine-4-carbonitrile;1-(2,6-dichloro-4-pyridinyl)cyclopropan-1-amine is C=C(C)c1cc(C2(NC(=O)OCc3ccccc3)CC2)cc(-c2ccc(F)cc2)n1.C=C(C)c1cc(C2(NC(=O)OCc3ccccc3)CC2)cc(Cl)n1.CC(O)(CN)c1cc(C2(NC(=O)OCc3ccccc3)CC2)cc(-c2ccc(F)cc2)n1.CCC(C)(O)c1cc(C2(NC(=O)OCc3ccccc3)CC2)cc(-c2ccc(F)cc2)n1.N#Cc1cc(Cl)nc(Cl)c1.NC1(c2cc(Cl)nc(Cl)c2)CC1.O=C(NC1(c2cc(Cl)nc(Cl)c2)CC1)OCc1ccccc1.

What is the InChIKey of benzyl N-[1-[2-(1-amino-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-(2,6-dichloro-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclopropyl]carbamate;2,6-dichloropyridine-4-carbonitrile;1-(2,6-dichloro-4-pyridinyl)cyclopropan-1-amine?

The InChIKey is LDYXCPMLEOUHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O3.C25H26FN3O3.C25H23FN2O2.C19H19ClN2O2.C16H14Cl2N2O2.C8H8Cl2N2.C6H2Cl2N2/c1-3-25(2,31)23-16-20(15-22(28-23)19-9-11-21(27)12-10-19)26(13-14-26)29-24(30)32-17-18-7-5-4-6-8-18;1-24(31,16-27)22-14-19(13-21(28-22)18-7-9-20(26)10-8-18)25(11-12-25)29-23(30)32-15-17-5-3-2-4-6-17;1-17(2)22-14-20(15-23(27-22)19-8-10-21(26)11-9-19)25(12-13-25)28-24(29)30-16-18-6-4-3-5-7-18;1-13(2)16-10-15(11-17(20)21-16)19(8-9-19)22-18(23)24-12-14-6-4-3-5-7-14;17-13-8-12(9-14(18)19-13)16(6-7-16)20-15(21)22-10-11-4-2-1-3-5-11;9-6-3-5(4-7(10)12-6)8(11)1-2-8;7-5-1-4(3-9)2-6(8)10-5/h4-12,15-16,31H,3,13-14,17H2,1-2H3,(H,29,30);2-10,13-14,31H,11-12,15-16,27H2,1H3,(H,29,30);3-11,14-15H,1,12-13,16H2,2H3,(H,28,29);3-7,10-11H,1,8-9,12H2,2H3,(H,22,23);1-5,8-9H,6-7,10H2,(H,20,21);3-4H,1-2,11H2;1-2H.

What are the key properties of benzyl N-[1-[2-(1-amino-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-(2,6-dichloro-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclopropyl]carbamate;2,6-dichloropyridine-4-carbonitrile;1-(2,6-dichloro-4-pyridinyl)cyclopropan-1-amine?

benzyl N-[1-[2-(1-amino-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-(2,6-dichloro-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclopropyl]carbamate;2,6-dichloropyridine-4-carbonitrile;1-(2,6-dichloro-4-pyridinyl)cyclopropan-1-amine has a molecular weight of 2328.58 g/mol, XLogP of 28.81, 30 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[1-[2-(1-amino-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-(2,6-dichloro-4-pyridinyl)cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]cyclopropyl]carbamate;benzyl N-[1-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclopropyl]carbamate;2,6-dichloropyridine-4-carbonitrile;1-(2,6-dichloro-4-pyridinyl)cyclopropan-1-amine is sourced from PubChem (CID 159322727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).