3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol

C17H15N3O — CID 68947843

IUPAC3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol
SMILESOc1cccc(-c2cncc(NCc3cccnc3)c2)c1
InChIInChI=1S/C17H15N3O/c21-17-5-1-4-14(8-17)15-7-16(12-19-11-15)20-10-13-3-2-6-18-9-13/h1-9,11-12,20-21H,10H2
InChIKeyOMHYQWZZIWPKTH-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.46
Rot. Bonds4

About 3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol

3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol (PubChem CID 68947843) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol.

Molecular Properties

Compound Name3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol
PubChem CID68947843
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol
SMILESOc1cccc(-c2cncc(NCc3cccnc3)c2)c1
InChIInChI=1S/C17H15N3O/c21-17-5-1-4-14(8-17)15-7-16(12-19-11-15)20-10-13-3-2-6-18-9-13/h1-9,11-12,20-21H,10H2
InChIKeyOMHYQWZZIWPKTH-UHFFFAOYSA-N
XLogP3.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid
CID 11537045
2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol
CID 68947876
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline
CID 43732044
3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline
CID 28713579
2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol
CID 18778349
2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968
2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide
CID 166907955
3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol
CID 22060886
3-[[[5-(2,4-dimethoxypyrimidin-5-yl)-3-pyridinyl]amino]methyl]phenol
CID 11976379
morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 109228393
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393

Frequently Asked Questions

What is the IUPAC name of 3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol?
The IUPAC name of 3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol (CID 68947843) is 3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol.
What is the SMILES notation for 3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol?
The canonical SMILES for 3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol is Oc1cccc(-c2cncc(NCc3cccnc3)c2)c1.
What is the InChIKey of 3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol?
The InChIKey is OMHYQWZZIWPKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17-5-1-4-14(8-17)15-7-16(12-19-11-15)20-10-13-3-2-6-18-9-13/h1-9,11-12,20-21H,10H2.
What are the key properties of 3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol?
3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol has a molecular weight of 277.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol is sourced from PubChem (CID 68947843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).