[6-[(2S)-2-amino-4-methylpentoxy]-3-(difluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen

C69H83F5N18O6 — CID 158828685

About [6-[(2S)-2-amino-4-methylpentoxy]-3-(difluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen

[6-[(2S)-2-amino-4-methylpentoxy]-3-(difluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 158828685) has the molecular formula C69H83F5N18O6 and a molecular weight of 1355.53 g/mol. Its IUPAC name is [6-[(2S)-2-amino-4-methylpentoxy]-3-(difluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: [6-[(2S)-2-amino-4-methylpentoxy]-3-(difluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen
• PubChem CID: 158828685
• Molecular Formula: C69H83F5N18O6
• Molecular Weight: 1355.53 g/mol
• Exact Mass: 1354.67
• IUPAC Name: [6-[(2S)-2-amino-4-methylpentoxy]-3-(difluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen
• SMILES: C/C=C/c1ccc(N2CCNCC2)nc1C(=O)c1cccnc1N.C/C=C\c1ccc(N2CCNCC2)nc1C(=O)c1cccnc1N.CC(C)C[C@H](N)COc1ccc(C(F)F)c(C(=O)c2cccnc2N)n1.NCCCOc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.[H][H].[H][H]
• InChI: InChI=1S/C18H22F2N4O2.2C18H21N5O.C15H15F3N4O2.2H2/c1-10(2)8-11(21)9-26-14-6-5-12(17(19)20)15(24-14)16(25)13-4-3-7-23-18(13)22;2*1-2-4-13-6-7-15(23-11-9-20-10-12-23)22-16(13)17(24)14-5-3-8-21-18(14)19;16-15(17,18)10-4-5-11(24-8-2-6-19)22-12(10)13(23)9-3-1-7-21-14(9)20;;/h3-7,10-11,17H,8-9,21H2,1-2H3,(H2,22,23);2*2-8,20H,9-12H2,1H3,(H2,19,21);1,3-5,7H,2,6,8,19H2,(H2,20,21);2*1H/b;4-2+;4-2-;;;/t11-;;;;;/m0...../s1
• InChIKey: IWTVHBUFQMNJJN-CVIQYSTGSA-N
• XLogP: 8.97
• TPSA: 376.52 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1355.53
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-[(2S)-2-amino-4-methylpentoxy]-3-(difluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen?

The IUPAC name of [6-[(2S)-2-amino-4-methylpentoxy]-3-(difluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen (CID 158828685) is [6-[(2S)-2-amino-4-methylpentoxy]-3-(difluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen.

What is the SMILES notation for [6-[(2S)-2-amino-4-methylpentoxy]-3-(difluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen?

The canonical SMILES for [6-[(2S)-2-amino-4-methylpentoxy]-3-(difluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen is C/C=C/c1ccc(N2CCNCC2)nc1C(=O)c1cccnc1N.C/C=C\c1ccc(N2CCNCC2)nc1C(=O)c1cccnc1N.CC(C)C[C@H](N)COc1ccc(C(F)F)c(C(=O)c2cccnc2N)n1.NCCCOc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.[H][H].[H][H].

What is the InChIKey of [6-[(2S)-2-amino-4-methylpentoxy]-3-(difluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen?

The InChIKey is IWTVHBUFQMNJJN-CVIQYSTGSA-N. The full InChI is InChI=1S/C18H22F2N4O2.2C18H21N5O.C15H15F3N4O2.2H2/c1-10(2)8-11(21)9-26-14-6-5-12(17(19)20)15(24-14)16(25)13-4-3-7-23-18(13)22;2*1-2-4-13-6-7-15(23-11-9-20-10-12-23)22-16(13)17(24)14-5-3-8-21-18(14)19;16-15(17,18)10-4-5-11(24-8-2-6-19)22-12(10)13(23)9-3-1-7-21-14(9)20;;/h3-7,10-11,17H,8-9,21H2,1-2H3,(H2,22,23);2*2-8,20H,9-12H2,1H3,(H2,19,21);1,3-5,7H,2,6,8,19H2,(H2,20,21);2*1H/b;4-2+;4-2-;;;/t11-;;;;;/m0...../s1.

What are the key properties of [6-[(2S)-2-amino-4-methylpentoxy]-3-(difluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen?

[6-[(2S)-2-amino-4-methylpentoxy]-3-(difluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1355.53 g/mol, XLogP of 8.97, 22 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(2S)-2-amino-4-methylpentoxy]-3-(difluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 158828685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).