(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone

C13H12N2O2 — CID 105485471

IUPAC(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
SMILESCOc1ccc(N)c(C(=O)c2ccccn2)c1
InChIInChI=1S/C13H12N2O2/c1-17-9-5-6-11(14)10(8-9)13(16)12-4-2-3-7-15-12/h2-8H,14H2,1H3
InChIKeyWECJJPSZXZUHCE-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.90
Rot. Bonds3

About (2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone

(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone (PubChem CID 105485471) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
PubChem CID105485471
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
SMILESCOc1ccc(N)c(C(=O)c2ccccn2)c1
InChIInChI=1S/C13H12N2O2/c1-17-9-5-6-11(14)10(8-9)13(16)12-4-2-3-7-15-12/h2-8H,14H2,1H3
InChIKeyWECJJPSZXZUHCE-UHFFFAOYSA-N
XLogP1.90
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118808080
[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone
CID 118847469
2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide
CID 54878484
(3-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 118819424
(3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 118853196
[2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone
CID 118819250
N'-(2,5-dimethoxybenzoyl)pyridine-2-carbohydrazide
CID 8573468
2-amino-5-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60955120
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
(2-amino-4-nitrophenyl)-pyridin-2-ylmethanone
CID 118836157
2-amino-5-methoxybenzamide;ethane
CID 142071126
methyl 2-amino-5-methoxybenzoate
CID 13052275

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone?
The IUPAC name of (2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone (CID 105485471) is (2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone.
What is the SMILES notation for (2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone?
The canonical SMILES for (2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone is COc1ccc(N)c(C(=O)c2ccccn2)c1.
What is the InChIKey of (2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone?
The InChIKey is WECJJPSZXZUHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-9-5-6-11(14)10(8-9)13(16)12-4-2-3-7-15-12/h2-8H,14H2,1H3.
What are the key properties of (2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone?
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone has a molecular weight of 228.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone is sourced from PubChem (CID 105485471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).