N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline

C17H15N3O — CID 75518345

IUPACN-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline
SMILESc1ccc(CNc2cccc(Oc3ccccn3)c2)nc1
InChIInChI=1S/C17H15N3O/c1-3-10-18-15(6-1)13-20-14-7-5-8-16(12-14)21-17-9-2-4-11-19-17/h1-12,20H,13H2
InChIKeyGQOSFPXKLXFJBA-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.88
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline

N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline (PubChem CID 75518345) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline
PubChem CID75518345
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline
SMILESc1ccc(CNc2cccc(Oc3ccccn3)c2)nc1
InChIInChI=1S/C17H15N3O/c1-3-10-18-15(6-1)13-20-14-7-5-8-16(12-14)21-17-9-2-4-11-19-17/h1-12,20H,13H2
InChIKeyGQOSFPXKLXFJBA-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenoxy-N-(pyridin-2-ylmethyl)aniline
CID 61369486
4-[3-(pyridin-2-ylmethylamino)phenoxy]butanenitrile
CID 60942993
N-(3-pyridin-2-yloxyphenyl)formamide
CID 91518983
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline
CID 75518344
2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120054
2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 71995335
N-[3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 28662122
3-nitro-N-(pyridin-2-ylmethyl)aniline
CID 43461683
5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 167948941
2-N,4-N-diphenyl-6-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 67212949
2-hydroxy-2-phenyl-N-(3-pyridin-2-yloxyphenyl)acetamide
CID 111540805
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline?
The IUPAC name of N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline (CID 75518345) is N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline?
The canonical SMILES for N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline is c1ccc(CNc2cccc(Oc3ccccn3)c2)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline?
The InChIKey is GQOSFPXKLXFJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-3-10-18-15(6-1)13-20-14-7-5-8-16(12-14)21-17-9-2-4-11-19-17/h1-12,20H,13H2.
What are the key properties of N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline?
N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline has a molecular weight of 277.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline is sourced from PubChem (CID 75518345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).