2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide

C13H12ClN3O2 — CID 103093876

IUPAC2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ncccc2Cl)c1N
InChIInChI=1S/C13H12ClN3O2/c1-19-10-6-2-4-8(11(10)15)13(18)17-12-9(14)5-3-7-16-12/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyIQARUJPYYXBLBP-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.58
Rot. Bonds3

About 2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide

2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide (PubChem CID 103093876) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide
PubChem CID103093876
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ncccc2Cl)c1N
InChIInChI=1S/C13H12ClN3O2/c1-19-10-6-2-4-8(11(10)15)13(18)17-12-9(14)5-3-7-16-12/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyIQARUJPYYXBLBP-UHFFFAOYSA-N
XLogP2.58
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.58
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

N-(3-chloro-2-pyridinyl)-2-methoxy-5-methylbenzamide
CID 113356136
2-amino-3-chloro-N-(3-methyl-2-pyridinyl)benzamide
CID 115539994
2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide
CID 115540802
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103943460
2-amino-N-(3-chloro-2-pyridinyl)-6-ethoxybenzamide
CID 103093864
N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103943532
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate
CID 110443915
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324
3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 106547626
3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide
CID 103094260

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide?
The IUPAC name of 2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide (CID 103093876) is 2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide?
The canonical SMILES for 2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2ncccc2Cl)c1N.
What is the InChIKey of 2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide?
The InChIKey is IQARUJPYYXBLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-19-10-6-2-4-8(11(10)15)13(18)17-12-9(14)5-3-7-16-12/h2-7H,15H2,1H3,(H,16,17,18).
What are the key properties of 2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide?
2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide has a molecular weight of 277.71 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide is sourced from PubChem (CID 103093876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).