N-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide

C16H19N3O2 — CID 171390106

IUPACN-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide
SMILESCN(CCOC(C)(c1ccccc1)c1ccccn1)N=O
InChIInChI=1S/C16H19N3O2/c1-16(14-8-4-3-5-9-14,15-10-6-7-11-17-15)21-13-12-19(2)18-20/h3-11H,12-13H2,1-2H3
InChIKeyUDODYJNBRONXHY-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.97
Rot. Bonds7

About N-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide

N-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide (PubChem CID 171390106) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide.

Molecular Properties

Compound NameN-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide
PubChem CID171390106
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide
SMILESCN(CCOC(C)(c1ccccc1)c1ccccn1)N=O
InChIInChI=1S/C16H19N3O2/c1-16(14-8-4-3-5-9-14,15-10-6-7-11-17-15)21-13-12-19(2)18-20/h3-11H,12-13H2,1-2H3
InChIKeyUDODYJNBRONXHY-UHFFFAOYSA-N
XLogP2.97
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-diphenoxyphosphoryl-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
CID 91056343
butanedioate;butanedioic acid;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
CID 23617069
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
CID 67437784
N,N-dimethyl-2-(1-pyridin-2-yl-1-thiophen-2-ylethoxy)ethanamine;hydrochloride
CID 3056387
tris(butanedioic acid);bis(N,N-dimethyl-2-(1-phenyl-1-pyridin-4-ylethoxy)ethanamine)
CID 163339088
2-chloro-5-[2-(dimethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
CID 67319865
2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine;hydrochloride
CID 11223
2-[dichloro(phenyl)methyl]pyridine
CID 25254083
2-(2-pyridin-2-ylpropan-2-yloxy)ethanol
CID 141291865
1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
CID 142148920
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(1-methoxy-1-pyridin-2-ylethyl)-N-methylbenzamide
CID 58536943
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide?
The IUPAC name of N-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide (CID 171390106) is N-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide.
What is the SMILES notation for N-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide?
The canonical SMILES for N-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide is CN(CCOC(C)(c1ccccc1)c1ccccn1)N=O.
What is the InChIKey of N-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide?
The InChIKey is UDODYJNBRONXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(14-8-4-3-5-9-14,15-10-6-7-11-17-15)21-13-12-19(2)18-20/h3-11H,12-13H2,1-2H3.
What are the key properties of N-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide?
N-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide has a molecular weight of 285.35 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide is sourced from PubChem (CID 171390106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).