N-[(6-anilino-4-methyl-3-pyridinyl)methylidene]hydroxylamine

C13H13N3O — CID 131847150

IUPACN-[(6-anilino-4-methyl-3-pyridinyl)methylidene]hydroxylamine
SMILESCc1cc(Nc2ccccc2)ncc1C=NO
InChIInChI=1S/C13H13N3O/c1-10-7-13(14-8-11(10)9-15-17)16-12-5-3-2-4-6-12/h2-9,17H,1H3,(H,14,16)
InChIKeyKMOZAKUBUKVTPJ-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.94
Rot. Bonds3

About N-[(6-anilino-4-methyl-3-pyridinyl)methylidene]hydroxylamine

N-[(6-anilino-4-methyl-3-pyridinyl)methylidene]hydroxylamine (PubChem CID 131847150) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[(6-anilino-4-methyl-3-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(6-anilino-4-methyl-3-pyridinyl)methylidene]hydroxylamine
PubChem CID131847150
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-[(6-anilino-4-methyl-3-pyridinyl)methylidene]hydroxylamine
SMILESCc1cc(Nc2ccccc2)ncc1C=NO
InChIInChI=1S/C13H13N3O/c1-10-7-13(14-8-11(10)9-15-17)16-12-5-3-2-4-6-12/h2-9,17H,1H3,(H,14,16)
InChIKeyKMOZAKUBUKVTPJ-UHFFFAOYSA-N
XLogP2.94
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-anilino-4-methyl-3-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of N-[(6-anilino-4-methyl-3-pyridinyl)methylidene]hydroxylamine (CID 131847150) is N-[(6-anilino-4-methyl-3-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(6-anilino-4-methyl-3-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(6-anilino-4-methyl-3-pyridinyl)methylidene]hydroxylamine is Cc1cc(Nc2ccccc2)ncc1C=NO.
What is the InChIKey of N-[(6-anilino-4-methyl-3-pyridinyl)methylidene]hydroxylamine?
The InChIKey is KMOZAKUBUKVTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-10-7-13(14-8-11(10)9-15-17)16-12-5-3-2-4-6-12/h2-9,17H,1H3,(H,14,16).
What are the key properties of N-[(6-anilino-4-methyl-3-pyridinyl)methylidene]hydroxylamine?
N-[(6-anilino-4-methyl-3-pyridinyl)methylidene]hydroxylamine has a molecular weight of 227.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-anilino-4-methyl-3-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 131847150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).