2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide

C17H20IN4O4P — CID 145017474

IUPAC2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide
SMILESCc1ccc(Oc2cnc(NC=O)c(C(=O)N(C)CCCOPI)c2)cn1
InChIInChI=1S/C17H20IN4O4P/c1-12-4-5-13(9-19-12)26-14-8-15(16(20-10-14)21-11-23)17(24)22(2)6-3-7-25-27-18/h4-5,8-11,27H,3,6-7H2,1-2H3,(H,20,21,23)
InChIKeyXCACRPPOPUPTNU-UHFFFAOYSA-N
MW502.25 g/mol
LogP3.57
Rot. Bonds10

About 2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide

2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide (PubChem CID 145017474) has the molecular formula C17H20IN4O4P and a molecular weight of 502.25 g/mol. Its IUPAC name is 2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide
PubChem CID145017474
Molecular FormulaC17H20IN4O4P
Molecular Weight502.25 g/mol
Exact Mass502.03
IUPAC Name2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide
SMILESCc1ccc(Oc2cnc(NC=O)c(C(=O)N(C)CCCOPI)c2)cn1
InChIInChI=1S/C17H20IN4O4P/c1-12-4-5-13(9-19-12)26-14-8-15(16(20-10-14)21-11-23)17(24)22(2)6-3-7-25-27-18/h4-5,8-11,27H,3,6-7H2,1-2H3,(H,20,21,23)
InChIKeyXCACRPPOPUPTNU-UHFFFAOYSA-N
XLogP3.57
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze 2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide with MolForge

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Related Compounds

2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide
CID 145017430
N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide
CID 55030985
2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide
CID 142462979
methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62058841
1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83119787
N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide
CID 107201918
4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide
CID 81234919
4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide
CID 81236445
N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 63943697
5-butoxy-2-methylpyridine
CID 13154052
N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide
CID 46872843
N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide
CID 114034849

Frequently Asked Questions

What is the IUPAC name of 2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide?
The IUPAC name of 2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide (CID 145017474) is 2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide?
The canonical SMILES for 2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide is Cc1ccc(Oc2cnc(NC=O)c(C(=O)N(C)CCCOPI)c2)cn1.
What is the InChIKey of 2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide?
The InChIKey is XCACRPPOPUPTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN4O4P/c1-12-4-5-13(9-19-12)26-14-8-15(16(20-10-14)21-11-23)17(24)22(2)6-3-7-25-27-18/h4-5,8-11,27H,3,6-7H2,1-2H3,(H,20,21,23).
What are the key properties of 2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide?
2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide has a molecular weight of 502.25 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-N-(3-iodophosphanyloxypropyl)-N-methyl-5-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carboxamide is sourced from PubChem (CID 145017474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).