N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine

C12H13N3O — CID 166062269

IUPACN-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine
SMILESONCc1ccc(Nc2cccnc2)cc1
InChIInChI=1S/C12H13N3O/c16-14-8-10-3-5-11(6-4-10)15-12-2-1-7-13-9-12/h1-7,9,14-16H,8H2
InChIKeyZBHHCHSMYJKZEH-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.30
Rot. Bonds4

About N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine

N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine (PubChem CID 166062269) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine
PubChem CID166062269
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine
SMILESONCc1ccc(Nc2cccnc2)cc1
InChIInChI=1S/C12H13N3O/c16-14-8-10-3-5-11(6-4-10)15-12-2-1-7-13-9-12/h1-7,9,14-16H,8H2
InChIKeyZBHHCHSMYJKZEH-UHFFFAOYSA-N
XLogP2.30
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-4-(pyridin-3-ylamino)benzenesulfonamide
CID 174610191
4-(pyridin-3-ylamino)benzoic acid
CID 62231528
N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 14720329
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride
CID 71432458
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-pyridin-3-ylpyrimidin-2-amine
CID 11593513
N-(3,4-dimethylphenyl)pyridin-3-amine
CID 82537517
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
(pyridin-3-ylamino)mercury(1+)
CID 16685218
(pyridin-3-ylamino)methanesulfinate
CID 174523358

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine (CID 166062269) is N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine is ONCc1ccc(Nc2cccnc2)cc1.
What is the InChIKey of N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine?
The InChIKey is ZBHHCHSMYJKZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-14-8-10-3-5-11(6-4-10)15-12-2-1-7-13-9-12/h1-7,9,14-16H,8H2.
What are the key properties of N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine?
N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine has a molecular weight of 215.26 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 166062269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).