4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide

C14H14ClN3O2 — CID 115474547

IUPAC4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1Oc1nc(Cl)ccc1N
InChIInChI=1S/C14H14ClN3O2/c1-7-5-9(13(17)19)6-8(2)12(7)20-14-10(16)3-4-11(15)18-14/h3-6H,16H2,1-2H3,(H2,17,19)
InChIKeyXTPRZZYNMKJWMF-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.83
Rot. Bonds3

About 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide

4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide (PubChem CID 115474547) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide
PubChem CID115474547
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1Oc1nc(Cl)ccc1N
InChIInChI=1S/C14H14ClN3O2/c1-7-5-9(13(17)19)6-8(2)12(7)20-14-10(16)3-4-11(15)18-14/h3-6H,16H2,1-2H3,(H2,17,19)
InChIKeyXTPRZZYNMKJWMF-UHFFFAOYSA-N
XLogP2.83
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide
CID 103566441
4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide
CID 82795312
2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine
CID 107283340
4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3,5-dimethylbenzamide
CID 83269691
4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide
CID 66077328
4-(3-aminophenoxy)-3,5-dimethylbenzamide
CID 80751978
6-chloro-2-(2-methyl-5-propan-2-ylphenoxy)pyridin-3-amine
CID 115474511
3-[(3-amino-6-methoxy-2-pyridinyl)oxy]-5-methoxybenzamide
CID 103566452
6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
CID 115474420
4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide
CID 65455621
6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
CID 65454117
6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine
CID 176830724

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide?
The IUPAC name of 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide (CID 115474547) is 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide.
What is the SMILES notation for 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide?
The canonical SMILES for 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide is Cc1cc(C(N)=O)cc(C)c1Oc1nc(Cl)ccc1N.
What is the InChIKey of 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide?
The InChIKey is XTPRZZYNMKJWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-7-5-9(13(17)19)6-8(2)12(7)20-14-10(16)3-4-11(15)18-14/h3-6H,16H2,1-2H3,(H2,17,19).
What are the key properties of 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide?
4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide has a molecular weight of 291.74 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide is sourced from PubChem (CID 115474547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).