N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine

C12H13N3O2 — CID 170189455

IUPACN-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine
SMILESCOc1cccc(Nc2cc(NO)ccn2)c1
InChIInChI=1S/C12H13N3O2/c1-17-11-4-2-3-9(7-11)14-12-8-10(15-16)5-6-13-12/h2-8,16H,1H3,(H2,13,14,15)
InChIKeyRUDOFTJBFDUUCS-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.63
Rot. Bonds4

About N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine

N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine (PubChem CID 170189455) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine
PubChem CID170189455
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine
SMILESCOc1cccc(Nc2cc(NO)ccn2)c1
InChIInChI=1S/C12H13N3O2/c1-17-11-4-2-3-9(7-11)14-12-8-10(15-16)5-6-13-12/h2-8,16H,1H3,(H2,13,14,15)
InChIKeyRUDOFTJBFDUUCS-UHFFFAOYSA-N
XLogP2.63
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(3-methoxyanilino)pyridine-4-carboxylate
CID 68663874
2-(3-chloroanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177464
2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166806
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
N-(2,6-difluorophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178031
N-(3-bromophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178014
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897
4-(3-methoxyanilino)pyridine-2-carbonitrile
CID 55157440
3-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193145
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea
CID 5249645
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 6464398
2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol
CID 53259803

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine?
The IUPAC name of N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine (CID 170189455) is N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine.
What is the SMILES notation for N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine?
The canonical SMILES for N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine is COc1cccc(Nc2cc(NO)ccn2)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine?
The InChIKey is RUDOFTJBFDUUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-17-11-4-2-3-9(7-11)14-12-8-10(15-16)5-6-13-12/h2-8,16H,1H3,(H2,13,14,15).
What are the key properties of N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine?
N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine has a molecular weight of 231.25 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine is sourced from PubChem (CID 170189455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).