N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid

C16H19N3O4 — CID 2845946

IUPACN-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
SMILESCN(CCc1ccccn1)Cc1ccccn1.O=C(O)C(=O)O
InChIInChI=1S/C14H17N3.C2H2O4/c1-17(12-14-7-3-5-10-16-14)11-8-13-6-2-4-9-15-13;3-1(4)2(5)6/h2-7,9-10H,8,11-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyANNDREHBZBWPND-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.31
Rot. Bonds5

About N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid

N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid (PubChem CID 2845946) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid.

Molecular Properties

Compound NameN-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
PubChem CID2845946
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
SMILESCN(CCc1ccccn1)Cc1ccccn1.O=C(O)C(=O)O
InChIInChI=1S/C14H17N3.C2H2O4/c1-17(12-14-7-3-5-10-16-14)11-8-13-6-2-4-9-15-13;3-1(4)2(5)6/h2-7,9-10H,8,11-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyANNDREHBZBWPND-UHFFFAOYSA-N
XLogP1.31
TPSA103.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol
CID 113372422
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
3-fluoro-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]benzoic acid
CID 63069441
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
CID 55144478
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909041
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 62050830

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid?
The IUPAC name of N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid (CID 2845946) is N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid.
What is the SMILES notation for N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid?
The canonical SMILES for N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid is CN(CCc1ccccn1)Cc1ccccn1.O=C(O)C(=O)O.
What is the InChIKey of N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid?
The InChIKey is ANNDREHBZBWPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.C2H2O4/c1-17(12-14-7-3-5-10-16-14)11-8-13-6-2-4-9-15-13;3-1(4)2(5)6/h2-7,9-10H,8,11-12H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid?
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid has a molecular weight of 317.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid is sourced from PubChem (CID 2845946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).