2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide

C14H14ClN3O3 — CID 115279862

IUPAC2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide
SMILESCOc1cc(N)c(C(=O)Nc2ccc(Cl)nc2)cc1OC
InChIInChI=1S/C14H14ClN3O3/c1-20-11-5-9(10(16)6-12(11)21-2)14(19)18-8-3-4-13(15)17-7-8/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyKYABGRBTPYLGNK-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.59
Rot. Bonds4

About 2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide

2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide (PubChem CID 115279862) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide
PubChem CID115279862
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide
SMILESCOc1cc(N)c(C(=O)Nc2ccc(Cl)nc2)cc1OC
InChIInChI=1S/C14H14ClN3O3/c1-20-11-5-9(10(16)6-12(11)21-2)14(19)18-8-3-4-13(15)17-7-8/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyKYABGRBTPYLGNK-UHFFFAOYSA-N
XLogP2.59
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 150110924
2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide
CID 43825333
4-amino-N-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81239196
5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide
CID 114089633
N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide
CID 115274447
2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide
CID 61168074
2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 114917038
2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 87509097
6-amino-N-(6-methoxy-3-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 103542771
3-chloro-N-(6-chloro-3-pyridinyl)-4-(3-methoxy-2-pyridinyl)benzamide
CID 59673136
5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 115413708
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide (CID 115279862) is 2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide is COc1cc(N)c(C(=O)Nc2ccc(Cl)nc2)cc1OC.
What is the InChIKey of 2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide?
The InChIKey is KYABGRBTPYLGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-20-11-5-9(10(16)6-12(11)21-2)14(19)18-8-3-4-13(15)17-7-8/h3-7H,16H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide?
2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide has a molecular weight of 307.74 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide is sourced from PubChem (CID 115279862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).