3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide

C14H15N3O2 — CID 81090786

IUPAC3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide
SMILESCOc1cc(N)cc(C(=O)Nc2ccc(C)cn2)c1
InChIInChI=1S/C14H15N3O2/c1-9-3-4-13(16-8-9)17-14(18)10-5-11(15)7-12(6-10)19-2/h3-8H,15H2,1-2H3,(H,16,17,18)
InChIKeyUJRXRPHHZHKKBT-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.23
Rot. Bonds3

About 3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide

3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 81090786) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID81090786
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide
SMILESCOc1cc(N)cc(C(=O)Nc2ccc(C)cn2)c1
InChIInChI=1S/C14H15N3O2/c1-9-3-4-13(16-8-9)17-14(18)10-5-11(15)7-12(6-10)19-2/h3-8H,15H2,1-2H3,(H,16,17,18)
InChIKeyUJRXRPHHZHKKBT-UHFFFAOYSA-N
XLogP2.23
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.23
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

3-amino-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 81090250
5-amino-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 110488393
3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 143484074
3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261
3-amino-5-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 78984369
3,5-dibromo-N-(5-methyl-2-pyridinyl)benzamide
CID 103907650
3,5-dichloro-N-(5-methyl-2-pyridinyl)benzamide
CID 5063171
3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 17395012
methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799744
3,5-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide
CID 2862603
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide
CID 81090898
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 35344467

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide (CID 81090786) is 3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide is COc1cc(N)cc(C(=O)Nc2ccc(C)cn2)c1.
What is the InChIKey of 3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is UJRXRPHHZHKKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-3-4-13(16-8-9)17-14(18)10-5-11(15)7-12(6-10)19-2/h3-8H,15H2,1-2H3,(H,16,17,18).
What are the key properties of 3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide?
3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 257.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 81090786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).