N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]-methylamino]methyl]-N-hydroxyformamide

C11H18N3O3P — CID 59082872

IUPACN-[[[dimethylphosphoryl(pyridin-3-yl)methyl]-methylamino]methyl]-N-hydroxyformamide
SMILESCN(CN(O)C=O)C(c1cccnc1)P(C)(C)=O
InChIInChI=1S/C11H18N3O3P/c1-13(8-14(16)9-15)11(18(2,3)17)10-5-4-6-12-7-10/h4-7,9,11,16H,8H2,1-3H3
InChIKeyBXEFPIYHRZKTLE-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.44
Rot. Bonds6

About N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]-methylamino]methyl]-N-hydroxyformamide

N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]-methylamino]methyl]-N-hydroxyformamide (PubChem CID 59082872) has the molecular formula C11H18N3O3P and a molecular weight of 271.26 g/mol. Its IUPAC name is N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]-methylamino]methyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[[[dimethylphosphoryl(pyridin-3-yl)methyl]-methylamino]methyl]-N-hydroxyformamide
PubChem CID59082872
Molecular FormulaC11H18N3O3P
Molecular Weight271.26 g/mol
Exact Mass271.11
IUPAC NameN-[[[dimethylphosphoryl(pyridin-3-yl)methyl]-methylamino]methyl]-N-hydroxyformamide
SMILESCN(CN(O)C=O)C(c1cccnc1)P(C)(C)=O
InChIInChI=1S/C11H18N3O3P/c1-13(8-14(16)9-15)11(18(2,3)17)10-5-4-6-12-7-10/h4-7,9,11,16H,8H2,1-3H3
InChIKeyBXEFPIYHRZKTLE-UHFFFAOYSA-N
XLogP1.44
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]amino]methyl]-N-hydroxyformamide
CID 59082780
[[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid
CID 142100270
2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid
CID 63688516
2-(dimethylamino)-2-pyridin-3-ylethanol
CID 54775729
(3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid
CID 18757044
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974
3-pyridin-3-ylbutanal
CID 12727117
3-[ethyl(hydroxy)phosphoryl]-2-phenyl-3-pyridin-3-ylpropanoic acid
CID 57212718
2-hydroxy-N,N-dimethyl-2-pyridin-3-ylacetamide
CID 83529938
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
N-[dimethylamino-[pyridin-3-yl(trimethylsilyloxy)methyl]phosphoryl]-N-methylmethanamine
CID 11507939
2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
CID 67492420

Frequently Asked Questions

What is the IUPAC name of N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]-methylamino]methyl]-N-hydroxyformamide?
The IUPAC name of N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]-methylamino]methyl]-N-hydroxyformamide (CID 59082872) is N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]-methylamino]methyl]-N-hydroxyformamide.
What is the SMILES notation for N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]-methylamino]methyl]-N-hydroxyformamide?
The canonical SMILES for N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]-methylamino]methyl]-N-hydroxyformamide is CN(CN(O)C=O)C(c1cccnc1)P(C)(C)=O.
What is the InChIKey of N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]-methylamino]methyl]-N-hydroxyformamide?
The InChIKey is BXEFPIYHRZKTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N3O3P/c1-13(8-14(16)9-15)11(18(2,3)17)10-5-4-6-12-7-10/h4-7,9,11,16H,8H2,1-3H3.
What are the key properties of N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]-methylamino]methyl]-N-hydroxyformamide?
N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]-methylamino]methyl]-N-hydroxyformamide has a molecular weight of 271.26 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]-methylamino]methyl]-N-hydroxyformamide is sourced from PubChem (CID 59082872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).