2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide

C11H15IN3O4P — CID 145017430

IUPAC2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide
SMILESCN(CCCOPI)C(=O)c1cc(O)cnc1NC=O
InChIInChI=1S/C11H15IN3O4P/c1-15(3-2-4-19-20-12)11(18)9-5-8(17)6-13-10(9)14-7-16/h5-7,17,20H,2-4H2,1H3,(H,13,14,16)
InChIKeyKYUYHLAUGIVAGS-UHFFFAOYSA-N
MW411.14 g/mol
LogP1.78
Rot. Bonds8

About 2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide

2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide (PubChem CID 145017430) has the molecular formula C11H15IN3O4P and a molecular weight of 411.14 g/mol. Its IUPAC name is 2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide
PubChem CID145017430
Molecular FormulaC11H15IN3O4P
Molecular Weight411.14 g/mol
Exact Mass410.98
IUPAC Name2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide
SMILESCN(CCCOPI)C(=O)c1cc(O)cnc1NC=O
InChIInChI=1S/C11H15IN3O4P/c1-15(3-2-4-19-20-12)11(18)9-5-8(17)6-13-10(9)14-7-16/h5-7,17,20H,2-4H2,1H3,(H,13,14,16)
InChIKeyKYUYHLAUGIVAGS-UHFFFAOYSA-N
XLogP1.78
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.14
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide
CID 145017474
2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide
CID 142462979
N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide
CID 114034849
5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide
CID 62168980
N-[3-(dimethylamino)propyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63860357
N-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 110855689
2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide
CID 138018447
6-(ethylamino)-N-(3-methoxypropyl)-N-methylpyridine-3-carboxamide
CID 63009314
5-hydroxy-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 63866551
5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
CID 107204449
N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide
CID 109251916
5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
CID 107201170

Frequently Asked Questions

What is the IUPAC name of 2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide (CID 145017430) is 2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide is CN(CCCOPI)C(=O)c1cc(O)cnc1NC=O.
What is the InChIKey of 2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide?
The InChIKey is KYUYHLAUGIVAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN3O4P/c1-15(3-2-4-19-20-12)11(18)9-5-8(17)6-13-10(9)14-7-16/h5-7,17,20H,2-4H2,1H3,(H,13,14,16).
What are the key properties of 2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide?
2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide has a molecular weight of 411.14 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 145017430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).