7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-bromoheptanoate;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide

C55H74BrI6N10O6- — CID 159612275

IUPAC7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-bromoheptanoate;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide
SMILESCCOC(=O)CCCCCCBr.CCOC(=O)CCCCCCN(c1ccccn1)c1ccccn1.I.II.I[I-]I.O=C(CCCCCCN(c1ccccn1)c1ccccn1)NO.c1ccc(Nc2ccccn2)nc1
InChIInChI=1S/C19H25N3O2.C17H22N4O2.C10H9N3.C9H17BrO2.I3.I2.HI/c1-2-24-19(23)13-5-3-4-10-16-22(17-11-6-8-14-20-17)18-12-7-9-15-21-18;22-17(20-23)11-3-1-2-8-14-21(15-9-4-6-12-18-15)16-10-5-7-13-19-16;1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;1-2-12-9(11)7-5-3-4-6-8-10;1-3-2;1-2;/h6-9,11-12,14-15H,2-5,10,13,16H2,1H3;4-7,9-10,12-13,23H,1-3,8,11,14H2,(H,20,22);1-8H,(H,11,12,13);2-8H2,1H3;;;1H/q;;;;-1;;
InChIKeySZMZZNAVNBZOKX-UHFFFAOYSA-N
MW1812.59 g/mol
LogP13.48
Rot. Bonds28

About 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-bromoheptanoate;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide

7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-bromoheptanoate;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide (PubChem CID 159612275) has the molecular formula C55H74BrI6N10O6- and a molecular weight of 1812.59 g/mol. Its IUPAC name is 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-bromoheptanoate;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide.

Molecular Properties

Compound Name7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-bromoheptanoate;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide
PubChem CID159612275
Molecular FormulaC55H74BrI6N10O6-
Molecular Weight1812.59 g/mol
Exact Mass1810.93
IUPAC Name7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-bromoheptanoate;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide
SMILESCCOC(=O)CCCCCCBr.CCOC(=O)CCCCCCN(c1ccccn1)c1ccccn1.I.II.I[I-]I.O=C(CCCCCCN(c1ccccn1)c1ccccn1)NO.c1ccc(Nc2ccccn2)nc1
InChIInChI=1S/C19H25N3O2.C17H22N4O2.C10H9N3.C9H17BrO2.I3.I2.HI/c1-2-24-19(23)13-5-3-4-10-16-22(17-11-6-8-14-20-17)18-12-7-9-15-21-18;22-17(20-23)11-3-1-2-8-14-21(15-9-4-6-12-18-15)16-10-5-7-13-19-16;1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;1-2-12-9(11)7-5-3-4-6-8-10;1-3-2;1-2;/h6-9,11-12,14-15H,2-5,10,13,16H2,1H3;4-7,9-10,12-13,23H,1-3,8,11,14H2,(H,20,22);1-8H,(H,11,12,13);2-8H2,1H3;;;1H/q;;;;-1;;
InChIKeySZMZZNAVNBZOKX-UHFFFAOYSA-N
XLogP13.48
TPSA197.78 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds28
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001812.59
LogP ≤ 513.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-bromoheptanoate;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide?
The IUPAC name of 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-bromoheptanoate;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide (CID 159612275) is 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-bromoheptanoate;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide.
What is the SMILES notation for 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-bromoheptanoate;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide?
The canonical SMILES for 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-bromoheptanoate;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide is CCOC(=O)CCCCCCBr.CCOC(=O)CCCCCCN(c1ccccn1)c1ccccn1.I.II.I[I-]I.O=C(CCCCCCN(c1ccccn1)c1ccccn1)NO.c1ccc(Nc2ccccn2)nc1.
What is the InChIKey of 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-bromoheptanoate;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide?
The InChIKey is SZMZZNAVNBZOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.C17H22N4O2.C10H9N3.C9H17BrO2.I3.I2.HI/c1-2-24-19(23)13-5-3-4-10-16-22(17-11-6-8-14-20-17)18-12-7-9-15-21-18;22-17(20-23)11-3-1-2-8-14-21(15-9-4-6-12-18-15)16-10-5-7-13-19-16;1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;1-2-12-9(11)7-5-3-4-6-8-10;1-3-2;1-2;/h6-9,11-12,14-15H,2-5,10,13,16H2,1H3;4-7,9-10,12-13,23H,1-3,8,11,14H2,(H,20,22);1-8H,(H,11,12,13);2-8H2,1H3;;;1H/q;;;;-1;;.
What are the key properties of 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-bromoheptanoate;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide?
7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-bromoheptanoate;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide has a molecular weight of 1812.59 g/mol, XLogP of 13.48, 28 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide;ethyl 7-bromoheptanoate;ethyl 7-(dipyridin-2-ylamino)heptanoate;molecular iodine;N-pyridin-2-ylpyridin-2-amine;triiodide;hydroiodide is sourced from PubChem (CID 159612275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).