2-amino-6-methoxy-N-pyridin-4-ylbenzamide

C13H13N3O2 — CID 81410012

IUPAC2-amino-6-methoxy-N-pyridin-4-ylbenzamide
SMILESCOc1cccc(N)c1C(=O)Nc1ccncc1
InChIInChI=1S/C13H13N3O2/c1-18-11-4-2-3-10(14)12(11)13(17)16-9-5-7-15-8-6-9/h2-8H,14H2,1H3,(H,15,16,17)
InChIKeyMMAPXXDASNWGAM-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.92
Rot. Bonds3

About 2-amino-6-methoxy-N-pyridin-4-ylbenzamide

2-amino-6-methoxy-N-pyridin-4-ylbenzamide (PubChem CID 81410012) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-pyridin-4-ylbenzamide
PubChem CID81410012
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-amino-6-methoxy-N-pyridin-4-ylbenzamide
SMILESCOc1cccc(N)c1C(=O)Nc1ccncc1
InChIInChI=1S/C13H13N3O2/c1-18-11-4-2-3-10(14)12(11)13(17)16-9-5-7-15-8-6-9/h2-8H,14H2,1H3,(H,15,16,17)
InChIKeyMMAPXXDASNWGAM-UHFFFAOYSA-N
XLogP1.92
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-ethoxyphenyl)-6-methoxybenzamide
CID 81394304
2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide
CID 107802446
2-amino-N-(2-chloro-3-pyridinyl)-6-methoxybenzamide
CID 81421056
2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide
CID 155516174
2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide
CID 81395610
2-amino-6-methoxy-N-(2-methylphenyl)benzamide
CID 81410704
2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 81420850
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methoxybenzamide
CID 81393711
2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide
CID 81410023
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide
CID 81421138
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-amino-6-methoxy-N-pyridin-4-ylbenzamide (CID 81410012) is 2-amino-6-methoxy-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-amino-6-methoxy-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-amino-6-methoxy-N-pyridin-4-ylbenzamide is COc1cccc(N)c1C(=O)Nc1ccncc1.
What is the InChIKey of 2-amino-6-methoxy-N-pyridin-4-ylbenzamide?
The InChIKey is MMAPXXDASNWGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-18-11-4-2-3-10(14)12(11)13(17)16-9-5-7-15-8-6-9/h2-8H,14H2,1H3,(H,15,16,17).
What are the key properties of 2-amino-6-methoxy-N-pyridin-4-ylbenzamide?
2-amino-6-methoxy-N-pyridin-4-ylbenzamide has a molecular weight of 243.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 81410012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).