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

C10H16N3O3P — CID 59082780

IUPACN-[[[dimethylphosphoryl(pyridin-3-yl)methyl]amino]methyl]-N-hydroxyformamide
SMILESCP(C)(=O)C(NCN(O)C=O)c1cccnc1
InChIInChI=1S/C10H16N3O3P/c1-17(2,16)10(12-7-13(15)8-14)9-4-3-5-11-6-9/h3-6,8,10,12,15H,7H2,1-2H3
InChIKeyMAFDNNJZEMVCOY-UHFFFAOYSA-N
MW257.23 g/mol
LogP1.10
Rot. Bonds6

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

N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]amino]methyl]-N-hydroxyformamide (PubChem CID 59082780) has the molecular formula C10H16N3O3P and a molecular weight of 257.23 g/mol. Its IUPAC name is N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]amino]methyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[[[dimethylphosphoryl(pyridin-3-yl)methyl]amino]methyl]-N-hydroxyformamide
PubChem CID59082780
Molecular FormulaC10H16N3O3P
Molecular Weight257.23 g/mol
Exact Mass257.09
IUPAC NameN-[[[dimethylphosphoryl(pyridin-3-yl)methyl]amino]methyl]-N-hydroxyformamide
SMILESCP(C)(=O)C(NCN(O)C=O)c1cccnc1
InChIInChI=1S/C10H16N3O3P/c1-17(2,16)10(12-7-13(15)8-14)9-4-3-5-11-6-9/h3-6,8,10,12,15H,7H2,1-2H3
InChIKeyMAFDNNJZEMVCOY-UHFFFAOYSA-N
XLogP1.10
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
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]-methylamino]methyl]-N-hydroxyformamide
CID 59082872
2-(dimethylamino)-2-pyridin-3-ylethanol
CID 54775729
ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide
CID 144904685
(3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid
CID 18757044
methyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate
CID 103258260
2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid
CID 63688516
[[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid
CID 142100270
3-pyridin-3-ylbutanal
CID 12727117
3-[ethyl(hydroxy)phosphoryl]-2-phenyl-3-pyridin-3-ylpropanoic acid
CID 57212718
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
N-[(1S)-1-pyridin-3-ylethyl]but-3-en-1-amine
CID 81404679
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514

Frequently Asked Questions

What is the IUPAC name of N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]amino]methyl]-N-hydroxyformamide?
The IUPAC name of N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]amino]methyl]-N-hydroxyformamide (CID 59082780) is N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]amino]methyl]-N-hydroxyformamide.
What is the SMILES notation for N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]amino]methyl]-N-hydroxyformamide?
The canonical SMILES for N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]amino]methyl]-N-hydroxyformamide is CP(C)(=O)C(NCN(O)C=O)c1cccnc1.
What is the InChIKey of N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]amino]methyl]-N-hydroxyformamide?
The InChIKey is MAFDNNJZEMVCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N3O3P/c1-17(2,16)10(12-7-13(15)8-14)9-4-3-5-11-6-9/h3-6,8,10,12,15H,7H2,1-2H3.
What are the key properties of N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]amino]methyl]-N-hydroxyformamide?
N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]amino]methyl]-N-hydroxyformamide has a molecular weight of 257.23 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[dimethylphosphoryl(pyridin-3-yl)methyl]amino]methyl]-N-hydroxyformamide is sourced from PubChem (CID 59082780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).