[[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid

C7H12N2O7P2 — CID 11716344

IUPAC[[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid
SMILESCOc1ccc(NC(P(=O)(O)O)P(=O)(O)O)cn1
InChIInChI=1S/C7H12N2O7P2/c1-16-6-3-2-5(4-8-6)9-7(17(10,11)12)18(13,14)15/h2-4,7,9H,1H3,(H2,10,11,12)(H2,13,14,15)
InChIKeyDXEUCCLZPQHDSZ-UHFFFAOYSA-N
MW298.13 g/mol
LogP0.14
Rot. Bonds5

About [[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid

[[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid (PubChem CID 11716344) has the molecular formula C7H12N2O7P2 and a molecular weight of 298.13 g/mol. Its IUPAC name is [[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid
PubChem CID11716344
Molecular FormulaC7H12N2O7P2
Molecular Weight298.13 g/mol
Exact Mass298.01
IUPAC Name[[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid
SMILESCOc1ccc(NC(P(=O)(O)O)P(=O)(O)O)cn1
InChIInChI=1S/C7H12N2O7P2/c1-16-6-3-2-5(4-8-6)9-7(17(10,11)12)18(13,14)15/h2-4,7,9H,1H3,(H2,10,11,12)(H2,13,14,15)
InChIKeyDXEUCCLZPQHDSZ-UHFFFAOYSA-N
XLogP0.14
TPSA149.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 50.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
(6-methoxy-3-pyridinyl)hydrazine;hydrochloride
CID 23090203
N,N-diethyl-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 43114034
(6-methoxy-3-pyridinyl)thiourea
CID 43148919
2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide
CID 47023248
(2R)-N-(3,5-dimethoxyphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25345790
2-methoxy-5-(sulfamoylamino)pyridine
CID 112573201
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide
CID 43114033
(2S)-2-amino-N-(6-methoxy-3-pyridinyl)butanamide
CID 79025042
(Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid
CID 103230745

Frequently Asked Questions

What is the IUPAC name of [[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid?
The IUPAC name of [[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid (CID 11716344) is [[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid?
The canonical SMILES for [[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid is COc1ccc(NC(P(=O)(O)O)P(=O)(O)O)cn1.
What is the InChIKey of [[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid?
The InChIKey is DXEUCCLZPQHDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O7P2/c1-16-6-3-2-5(4-8-6)9-7(17(10,11)12)18(13,14)15/h2-4,7,9H,1H3,(H2,10,11,12)(H2,13,14,15).
What are the key properties of [[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid?
[[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid has a molecular weight of 298.13 g/mol, XLogP of 0.14, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 11716344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).