6-[4-(aminomethyl)piperidin-1-yl]-N-(oxan-2-yloxy)pyridine-3-carboxamide;(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;iodomethane;triiodovanadium

C64H71I4N8O12V — CID 159173223

IUPAC6-[4-(aminomethyl)piperidin-1-yl]-N-(oxan-2-yloxy)pyridine-3-carboxamide;(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;iodomethane;triiodovanadium
SMILESCI.I[V](I)I.NCC1CCN(c2ccc(C(=O)NOC3CCCCO3)cn2)CC1.O=C(NCC1CCN(c2ccc(C(=O)O)cn2)CC1)OCC1c2ccccc2-c2ccccc21.O=C(OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O
InChIInChI=1S/C27H27N3O4.C19H15NO5.C17H26N4O3.CH3I.3HI.V/c31-26(32)19-9-10-25(28-16-19)30-13-11-18(12-14-30)15-29-27(33)34-17-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24;21-17-9-10-18(22)20(17)25-19(23)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16;18-11-13-6-8-21(9-7-13)15-5-4-14(12-19-15)17(22)20-24-16-3-1-2-10-23-16;1-2;;;;/h1-10,16,18,24H,11-15,17H2,(H,29,33)(H,31,32);1-8,16H,9-11H2;4-5,12-13,16H,1-3,6-11,18H2,(H,20,22);1H3;3*1H;/q;;;;;;;+3/p-3
InChIKeyKLYJNFZMSWWVOH-UHFFFAOYSA-K
MW1702.88 g/mol
LogP12.70
Rot. Bonds14

About 6-[4-(aminomethyl)piperidin-1-yl]-N-(oxan-2-yloxy)pyridine-3-carboxamide;(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;iodomethane;triiodovanadium

6-[4-(aminomethyl)piperidin-1-yl]-N-(oxan-2-yloxy)pyridine-3-carboxamide;(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;iodomethane;triiodovanadium (PubChem CID 159173223) has the molecular formula C64H71I4N8O12V and a molecular weight of 1702.88 g/mol. Its IUPAC name is 6-[4-(aminomethyl)piperidin-1-yl]-N-(oxan-2-yloxy)pyridine-3-carboxamide;(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;iodomethane;triiodovanadium.

Molecular Properties

Compound Name6-[4-(aminomethyl)piperidin-1-yl]-N-(oxan-2-yloxy)pyridine-3-carboxamide;(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;iodomethane;triiodovanadium
PubChem CID159173223
Molecular FormulaC64H71I4N8O12V
Molecular Weight1702.88 g/mol
Exact Mass1702.08
IUPAC Name6-[4-(aminomethyl)piperidin-1-yl]-N-(oxan-2-yloxy)pyridine-3-carboxamide;(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;iodomethane;triiodovanadium
SMILESCI.I[V](I)I.NCC1CCN(c2ccc(C(=O)NOC3CCCCO3)cn2)CC1.O=C(NCC1CCN(c2ccc(C(=O)O)cn2)CC1)OCC1c2ccccc2-c2ccccc21.O=C(OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O
InChIInChI=1S/C27H27N3O4.C19H15NO5.C17H26N4O3.CH3I.3HI.V/c31-26(32)19-9-10-25(28-16-19)30-13-11-18(12-14-30)15-29-27(33)34-17-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24;21-17-9-10-18(22)20(17)25-19(23)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16;18-11-13-6-8-21(9-7-13)15-5-4-14(12-19-15)17(22)20-24-16-3-1-2-10-23-16;1-2;;;;/h1-10,16,18,24H,11-15,17H2,(H,29,33)(H,31,32);1-8,16H,9-11H2;4-5,12-13,16H,1-3,6-11,18H2,(H,20,22);1H3;3*1H;/q;;;;;;;+3/p-3
InChIKeyKLYJNFZMSWWVOH-UHFFFAOYSA-K
XLogP12.70
TPSA254.38 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001702.88
LogP ≤ 512.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 6-[4-(aminomethyl)piperidin-1-yl]-N-(oxan-2-yloxy)pyridine-3-carboxamide;(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;iodomethane;triiodovanadium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)piperidin-1-yl]-N-(oxan-2-yloxy)pyridine-3-carboxamide;(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;iodomethane;triiodovanadium?
The IUPAC name of 6-[4-(aminomethyl)piperidin-1-yl]-N-(oxan-2-yloxy)pyridine-3-carboxamide;(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;iodomethane;triiodovanadium (CID 159173223) is 6-[4-(aminomethyl)piperidin-1-yl]-N-(oxan-2-yloxy)pyridine-3-carboxamide;(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;iodomethane;triiodovanadium.
What is the SMILES notation for 6-[4-(aminomethyl)piperidin-1-yl]-N-(oxan-2-yloxy)pyridine-3-carboxamide;(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;iodomethane;triiodovanadium?
The canonical SMILES for 6-[4-(aminomethyl)piperidin-1-yl]-N-(oxan-2-yloxy)pyridine-3-carboxamide;(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;iodomethane;triiodovanadium is CI.I[V](I)I.NCC1CCN(c2ccc(C(=O)NOC3CCCCO3)cn2)CC1.O=C(NCC1CCN(c2ccc(C(=O)O)cn2)CC1)OCC1c2ccccc2-c2ccccc21.O=C(OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O.
What is the InChIKey of 6-[4-(aminomethyl)piperidin-1-yl]-N-(oxan-2-yloxy)pyridine-3-carboxamide;(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;iodomethane;triiodovanadium?
The InChIKey is KLYJNFZMSWWVOH-UHFFFAOYSA-K. The full InChI is InChI=1S/C27H27N3O4.C19H15NO5.C17H26N4O3.CH3I.3HI.V/c31-26(32)19-9-10-25(28-16-19)30-13-11-18(12-14-30)15-29-27(33)34-17-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24;21-17-9-10-18(22)20(17)25-19(23)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16;18-11-13-6-8-21(9-7-13)15-5-4-14(12-19-15)17(22)20-24-16-3-1-2-10-23-16;1-2;;;;/h1-10,16,18,24H,11-15,17H2,(H,29,33)(H,31,32);1-8,16H,9-11H2;4-5,12-13,16H,1-3,6-11,18H2,(H,20,22);1H3;3*1H;/q;;;;;;;+3/p-3.
What are the key properties of 6-[4-(aminomethyl)piperidin-1-yl]-N-(oxan-2-yloxy)pyridine-3-carboxamide;(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;iodomethane;triiodovanadium?
6-[4-(aminomethyl)piperidin-1-yl]-N-(oxan-2-yloxy)pyridine-3-carboxamide;(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;iodomethane;triiodovanadium has a molecular weight of 1702.88 g/mol, XLogP of 12.70, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)piperidin-1-yl]-N-(oxan-2-yloxy)pyridine-3-carboxamide;(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid;iodomethane;triiodovanadium is sourced from PubChem (CID 159173223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).