5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide

C14H16N4O2 — CID 62990349

IUPAC5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide
SMILESCOc1cc(CNc2ccc(N)cc2C(N)=O)ccn1
InChIInChI=1S/C14H16N4O2/c1-20-13-6-9(4-5-17-13)8-18-12-3-2-10(15)7-11(12)14(16)19/h2-7,18H,8,15H2,1H3,(H2,16,19)
InChIKeyZPMVIXFBIPUXCC-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.38
Rot. Bonds5

About 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide

5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide (PubChem CID 62990349) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide.

Molecular Properties

Compound Name5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide
PubChem CID62990349
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide
SMILESCOc1cc(CNc2ccc(N)cc2C(N)=O)ccn1
InChIInChI=1S/C14H16N4O2/c1-20-13-6-9(4-5-17-13)8-18-12-3-2-10(15)7-11(12)14(16)19/h2-7,18H,8,15H2,1H3,(H2,16,19)
InChIKeyZPMVIXFBIPUXCC-UHFFFAOYSA-N
XLogP1.38
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide 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 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzoate
CID 62990167
5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 62989660
3-chloro-4-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 63088979
5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62990194
2-amino-3-fluoro-6-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 83207084
3-amino-5-[(2-methoxy-4-pyridinyl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380100
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 62991134
4-bromo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 65342517
3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62072661
4-bromo-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 114907362
5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104765046
6-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carbothioamide
CID 62989476

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide?
The IUPAC name of 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide (CID 62990349) is 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide.
What is the SMILES notation for 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide?
The canonical SMILES for 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide is COc1cc(CNc2ccc(N)cc2C(N)=O)ccn1.
What is the InChIKey of 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide?
The InChIKey is ZPMVIXFBIPUXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-13-6-9(4-5-17-13)8-18-12-3-2-10(15)7-11(12)14(16)19/h2-7,18H,8,15H2,1H3,(H2,16,19).
What are the key properties of 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide?
5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide has a molecular weight of 272.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide is sourced from PubChem (CID 62990349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).