(NE)-N-[[6-(benzylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine

C14H15N3O — CID 102544731

IUPAC(NE)-N-[[6-(benzylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1cc(/C=N/O)cnc1NCc1ccccc1
InChIInChI=1S/C14H15N3O/c1-11-7-13(10-17-18)9-16-14(11)15-8-12-5-3-2-4-6-12/h2-7,9-10,18H,8H2,1H3,(H,15,16)/b17-10+
InChIKeyFBNHZAOBEUBXHL-LICLKQGHSA-N
MW241.29 g/mol
LogP2.81
Rot. Bonds4

About (NE)-N-[[6-(benzylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine

(NE)-N-[[6-(benzylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 102544731) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (NE)-N-[[6-(benzylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[6-(benzylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine
PubChem CID102544731
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(NE)-N-[[6-(benzylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1cc(/C=N/O)cnc1NCc1ccccc1
InChIInChI=1S/C14H15N3O/c1-11-7-13(10-17-18)9-16-14(11)15-8-12-5-3-2-4-6-12/h2-7,9-10,18H,8H2,1H3,(H,15,16)/b17-10+
InChIKeyFBNHZAOBEUBXHL-LICLKQGHSA-N
XLogP2.81
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.81
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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Related Compounds

N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine
CID 131847194
(NE)-N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine
CID 102544509
N-benzyl-3-methyl-5-nitropyridin-2-amine
CID 58926720
(NZ)-N-[[5-methyl-6-(N-methylanilino)-3-pyridinyl]methylidene]hydroxylamine
CID 124501354
[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 79718432
[4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231455
5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine
CID 79718282
(NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 124501175
N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 68604925
N-benzyl-5-methyl-3-nitropyridin-2-amine
CID 24903143
N-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide
CID 57365590
5-[(Z)-hydroxyiminomethyl]-2-methylpyridin-3-ol
CID 143990802

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[6-(benzylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[6-(benzylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine (CID 102544731) is (NE)-N-[[6-(benzylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[6-(benzylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[6-(benzylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine is Cc1cc(/C=N/O)cnc1NCc1ccccc1.
What is the InChIKey of (NE)-N-[[6-(benzylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is FBNHZAOBEUBXHL-LICLKQGHSA-N. The full InChI is InChI=1S/C14H15N3O/c1-11-7-13(10-17-18)9-16-14(11)15-8-12-5-3-2-4-6-12/h2-7,9-10,18H,8H2,1H3,(H,15,16)/b17-10+.
What are the key properties of (NE)-N-[[6-(benzylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine?
(NE)-N-[[6-(benzylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 241.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[6-(benzylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 102544731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).