[[5-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]hydrazinylidene]technetium(4+)

C31H35N7O9Tc+4 — CID 153278375

About [[5-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]hydrazinylidene]technetium(4+)

[[5-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]hydrazinylidene]technetium(4+) (PubChem CID 153278375) has the molecular formula C31H35N7O9Tc+4 and a molecular weight of 747.66 g/mol. Its IUPAC name is [[5-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]hydrazinylidene]technetium(4+).

Molecular Properties

• Compound Name: [[5-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]hydrazinylidene]technetium(4+)
• PubChem CID: 153278375
• Molecular Formula: C31H35N7O9Tc+4
• Molecular Weight: 747.66 g/mol
• Exact Mass: 746.15
• IUPAC Name: [[5-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]hydrazinylidene]technetium(4+)
• SMILES: O=C(O)CCC(NC(=O)NC(CCCCNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)c1ccc(NN=[Tc+4])nc1)C(=O)O)C(=O)O
• InChI: InChI=1S/C31H35N7O9.Tc/c32-38-25-12-10-21(17-34-25)27(41)35-24(16-18-8-9-19-5-1-2-6-20(19)15-18)28(42)33-14-4-3-7-22(29(43)44)36-31(47)37-23(30(45)46)11-13-26(39)40;/h1-2,5-6,8-10,12,15,17,22-24H,3-4,7,11,13-14,16H2,(H,33,42)(H,34,38)(H,35,41)(H,39,40)(H,43,44)(H,45,46)(H2,36,37,47);/q;+4
• InChIKey: XWXADCNZMWZPSU-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 248.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.66
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [[5-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]hydrazinylidene]technetium(4+)?

The IUPAC name of [[5-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]hydrazinylidene]technetium(4+) (CID 153278375) is [[5-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]hydrazinylidene]technetium(4+).

What is the SMILES notation for [[5-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]hydrazinylidene]technetium(4+)?

The canonical SMILES for [[5-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]hydrazinylidene]technetium(4+) is O=C(O)CCC(NC(=O)NC(CCCCNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)c1ccc(NN=[Tc+4])nc1)C(=O)O)C(=O)O.

What is the InChIKey of [[5-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]hydrazinylidene]technetium(4+)?

The InChIKey is XWXADCNZMWZPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O9.Tc/c32-38-25-12-10-21(17-34-25)27(41)35-24(16-18-8-9-19-5-1-2-6-20(19)15-18)28(42)33-14-4-3-7-22(29(43)44)36-31(47)37-23(30(45)46)11-13-26(39)40;/h1-2,5-6,8-10,12,15,17,22-24H,3-4,7,11,13-14,16H2,(H,33,42)(H,34,38)(H,35,41)(H,39,40)(H,43,44)(H,45,46)(H2,36,37,47);/q;+4.

What are the key properties of [[5-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]hydrazinylidene]technetium(4+)?

[[5-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]hydrazinylidene]technetium(4+) has a molecular weight of 747.66 g/mol, XLogP of 1.99, 19 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [[5-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]hydrazinylidene]technetium(4+) is sourced from PubChem (CID 153278375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).