[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid

C15H19N6O4P — CID 174260704

IUPAC[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid
SMILESCNCC(=O)Nc1ccc(/N=N/c2ccccc2OP(C)(=O)O)c(N)n1
InChIInChI=1S/C15H19N6O4P/c1-17-9-14(22)18-13-8-7-11(15(16)19-13)21-20-10-5-3-4-6-12(10)25-26(2,23)24/h3-8,17H,9H2,1-2H3,(H,23,24)(H3,16,18,19,22)/b21-20+
InChIKeyDDVFPZUQDQRGHT-QZQOTICOSA-N
MW378.33 g/mol
LogP2.43
Rot. Bonds7

About [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid

[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid (PubChem CID 174260704) has the molecular formula C15H19N6O4P and a molecular weight of 378.33 g/mol. Its IUPAC name is [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid.

Molecular Properties

Compound Name[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid
PubChem CID174260704
Molecular FormulaC15H19N6O4P
Molecular Weight378.33 g/mol
Exact Mass378.12
IUPAC Name[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid
SMILESCNCC(=O)Nc1ccc(/N=N/c2ccccc2OP(C)(=O)O)c(N)n1
InChIInChI=1S/C15H19N6O4P/c1-17-9-14(22)18-13-8-7-11(15(16)19-13)21-20-10-5-3-4-6-12(10)25-26(2,23)24/h3-8,17H,9H2,1-2H3,(H,23,24)(H3,16,18,19,22)/b21-20+
InChIKeyDDVFPZUQDQRGHT-QZQOTICOSA-N
XLogP2.43
TPSA151.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid?
The IUPAC name of [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid (CID 174260704) is [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid.
What is the SMILES notation for [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid?
The canonical SMILES for [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid is CNCC(=O)Nc1ccc(/N=N/c2ccccc2OP(C)(=O)O)c(N)n1.
What is the InChIKey of [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid?
The InChIKey is DDVFPZUQDQRGHT-QZQOTICOSA-N. The full InChI is InChI=1S/C15H19N6O4P/c1-17-9-14(22)18-13-8-7-11(15(16)19-13)21-20-10-5-3-4-6-12(10)25-26(2,23)24/h3-8,17H,9H2,1-2H3,(H,23,24)(H3,16,18,19,22)/b21-20+.
What are the key properties of [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid?
[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid has a molecular weight of 378.33 g/mol, XLogP of 2.43, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid is sourced from PubChem (CID 174260704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).